Graphs show a maximum of 100 compounds. Use downloads for complete results.
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
6 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
10 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
7 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
13 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
13 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
5 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

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

Depiction
Upstream Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Abiotic
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
CRHSXTCERACXGO-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=C(C(=C(C=C3)O)O)Cl)O
Environmental
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
CRHSXTCERACXGO-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=C(C(=C(C=C3)O)O)Cl)O
Abiotic
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
SNMCOXCGKYTYAL-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3Cl)O)O)O
Abiotic
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
SNMCOXCGKYTYAL-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3Cl)O)O)O
Environmental
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
UZCBBAAJFKCMRN-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C(=C3)Cl)O)O)O
Abiotic
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
UZCBBAAJFKCMRN-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C(=C3)Cl)O)O)O
Environmental
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
CRHSXTCERACXGO-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=C(C(=C(C=C3)O)O)Cl)O
Abiotic
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
CRHSXTCERACXGO-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=C(C(=C(C=C3)O)O)Cl)O
Environmental
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Depiction
Upstream Precursor
SNMCOXCGKYTYAL-UHFFFAOYSA-N
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3Cl)O)O)O
Abiotic
Depiction
Product
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O

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

Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Abiotic
Depiction
Downstream Successor
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Abiotic
Depiction
Downstream Successor
BAVYZALUXZFZLV-UHFFFAOYSA-N
Methylamine
NC
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Theophylline
N1C=NC2=C1C(=O)N(C(=O)N2C)C
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
SFLSHLFXELFNJZ-UHFFFAOYSA-N
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-
C1=CC(=CC(=C1O)O)C(CN)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
YUGMCLJIWGEKCK-UHFFFAOYSA-N
alpha,3,4-Trihydroxybenzeneacetaldehyde
c1(ccc(cc1O)C(C=O)O)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
CNFQARFTXUBHJY-UHFFFAOYSA-N
2-Amino-1-(3,4-dihydroxyphenyl)ethanone
C1=C(C(=CC(=C1)C(=O)CN)O)O
Depiction
Precursor
WMCMJIGLYZDKRN-UHFFFAOYSA-N
7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
Environmental
Depiction
Downstream Successor
GMSNIKWWOQHZGF-UHFFFAOYSA-N
3-Methylxanthine
N1C(=O)C2=C(N=CN2)N(C1=O)C

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

No Original Precursors

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