Graphs show a maximum of 100 compounds. Use downloads for complete results.
Depiction
Upstream Precursor
YXSLJKQTIDHPOT-UHFFFAOYSA-N
Atracurium
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
YXSLJKQTIDHPOT-UHFFFAOYSA-N
Atracurium
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
YXSLJKQTIDHPOT-UHFFFAOYSA-N
Atracurium
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
AJILJMUXXIZABP-UHFFFAOYSA-P
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
AJILJMUXXIZABP-UHFFFAOYSA-P
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
OGGHYRRJYJVOCU-UHFFFAOYSA-P
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
SRNIDACCAGZWOJ-UHFFFAOYSA-P
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
QBFZIEGKSCEPFS-UHFFFAOYSA-O
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
QBFZIEGKSCEPFS-UHFFFAOYSA-O
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Depiction
Upstream Precursor
KKAMFYLCBFDFPI-UHFFFAOYSA-P
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCC…
Abiotic
Depiction
Product
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO

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Depiction
Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
PriorBiotransformation
Depiction
Downstream Successor
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Abiotic
Depiction
Downstream Successor
ALQSHHUCVQOPAS-UHFFFAOYSA-N
1,5-Pentanediol
OCCCCCO
Depiction
Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
PriorBiotransformation
Depiction
Downstream Successor
ALQSHHUCVQOPAS-UHFFFAOYSA-N
1,5-Pentanediol
OCCCCCO
Depiction
Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Abiotic
Depiction
Downstream Successor
ALQSHHUCVQOPAS-UHFFFAOYSA-N
1,5-Pentanediol
OCCCCCO
Depiction
Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
PriorBiotransformation
Depiction
Downstream Successor
CNRGMQRNYAIBTN-UHFFFAOYSA-N
5-Hydroxypentanal
OCCCCC=O
Depiction
Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Abiotic
Depiction
Downstream Successor
CNRGMQRNYAIBTN-UHFFFAOYSA-N
5-Hydroxypentanal
OCCCCC=O
Depiction
Precursor
XFGQBTJDTYNZPQ-UHFFFAOYSA-N
2-(9-Hydroxy-3-oxo-4-oxanonyl)-2-methyl-1,2,3,4-tetrahydropapaverinium Benzenesulfonate
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO
Abiotic
Depiction
Downstream Successor
CBYYUJQXRKBSCV-UHFFFAOYSA-N
2-(2-Carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratryl-isoquinoline hidrochloride
COc1c(cc(cc1)CC2c3cc(c(cc3CCN2CCC(=O)O)OC)OC)OC

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

No Original Precursors

No entries were found for this section with the current query and depth.

No Dead-Ends

No entries were found for this section with the current query and depth.

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