Graphs show a maximum of 100 compounds. Use downloads for complete results.
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
1 step
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
14 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
7 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
6 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
10 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
10 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
15 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
15 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
14 steps
Depiction
Dead-End Product
CPRDLBPDNZTCSM-UHFFFAOYSA-N
But-1-ene-1,1-diol
CCC=C(O)O
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
11 steps
Depiction
Dead-End Product
CJXCLBPFKGZXJP-UHFFFAOYSA-N
4,5-Dideoxypentonic acid
CCC(C(C(=O)O)O)O

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Upstream Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Abiotic
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
HYBRYAPKQCZIAE-UHFFFAOYSA-O
3,4-Dimethoxy-6-methyl-14-oxo-5,6,7,8,14,15-hexahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-6-ium
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Abiotic
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
HYBRYAPKQCZIAE-UHFFFAOYSA-O
3,4-Dimethoxy-6-methyl-14-oxo-5,6,7,8,14,15-hexahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-6-ium
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Environmental
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
HYBRYAPKQCZIAE-UHFFFAOYSA-O
3,4-Dimethoxy-6-methyl-14-oxo-5,6,7,8,14,15-hexahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-6-ium
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Abiotic
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
HYBRYAPKQCZIAE-UHFFFAOYSA-O
3,4-Dimethoxy-6-methyl-14-oxo-5,6,7,8,14,15-hexahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-6-ium
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Environmental
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
BHHSMNMRQSHFMO-UHFFFAOYSA-N
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4Cl)OC)O)OCO3
Environmental
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
BHHSMNMRQSHFMO-UHFFFAOYSA-N
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4Cl)OC)O)OCO3
Abiotic
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
BHHSMNMRQSHFMO-UHFFFAOYSA-N
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4Cl)OC)O)OCO3
Abiotic
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
BHHSMNMRQSHFMO-UHFFFAOYSA-N
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4Cl)OC)O)OCO3
Environmental
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Upstream Precursor
KZJWSJKIYHMWIA-UHFFFAOYSA-N
C[N+]1(CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3)[O-]
Environmental
Depiction
Product
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Abiotic
Depiction
Downstream Successor
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Environmental
Depiction
Downstream Successor
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Abiotic
Depiction
Downstream Successor
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Environmental
Depiction
Downstream Successor
BAVYZALUXZFZLV-UHFFFAOYSA-N
Methylamine
NC
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Abiotic
Depiction
Downstream Successor
BAVYZALUXZFZLV-UHFFFAOYSA-N
Methylamine
NC
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Environmental
Depiction
Downstream Successor
MQTQDDMAZGMGQK-UHFFFAOYSA-N
CN(CCC1=CC2=C(C=C1O)OCO2)CC3=C(CC(=O)O)C=CC(=C3O)OC
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Abiotic
Depiction
Downstream Successor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Environmental
Depiction
Downstream Successor
UEDPPLFGKQVFDK-UHFFFAOYSA-N
N1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Environmental
Depiction
Downstream Successor
OKIAKBOJQLISPE-UHFFFAOYSA-N
7,8-Dihydroxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)O)O)OCO3
Depiction
Precursor
RSMSJQDBPYSXHH-UHFFFAOYSA-O
8-Hydroxy-7-methoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C[NH+]1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)O)OCO3
Abiotic
Depiction
Downstream Successor
OKIAKBOJQLISPE-UHFFFAOYSA-N
7,8-Dihydroxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)O)O)OCO3

Previewing top 10 entries. If you want the full results, please use the download button above.

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