Graphs show a maximum of 100 compounds. Use downloads for complete results.
Depiction
Upstream Precursor
CGIGDMFJXJATDK-UHFFFAOYSA-N
Indomethacin
OC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C
Abiotic
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
CGIGDMFJXJATDK-UHFFFAOYSA-N
Indomethacin
OC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C
Environmental
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
AUDFHJLSHQWFQQ-SFHVURJKSA-N
Sermetacin
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](C…
Abiotic
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
AUDFHJLSHQWFQQ-SFHVURJKSA-N
Sermetacin
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](C…
Environmental
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
BGCXLESRIBRCPE-UHFFFAOYSA-N
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C…
Abiotic
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
BGCXLESRIBRCPE-UHFFFAOYSA-N
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C…
Abiotic
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
BGCXLESRIBRCPE-UHFFFAOYSA-N
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C…
PriorBiotransformation
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
WSJKAIHBSUFBIL-UHFFFAOYSA-N
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C…
Abiotic
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
WSJKAIHBSUFBIL-UHFFFAOYSA-N
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C…
PriorBiotransformation
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Depiction
Upstream Precursor
HUVCXNSEMNTEDT-UHFFFAOYSA-N
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C…
PriorBiotransformation
Depiction
Product
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C

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

Depiction
Precursor
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Environmental
Depiction
Downstream Successor
FDADMESSMPJUJC-UHFFFAOYSA-N
O-Desmethyl-N-deschlorobenzoyl Indomethacin
CC1=C(C2=C(N1)C=CC(=C2)O)CC(=O)O
Depiction
Precursor
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Abiotic
Depiction
Downstream Successor
FDADMESSMPJUJC-UHFFFAOYSA-N
O-Desmethyl-N-deschlorobenzoyl Indomethacin
CC1=C(C2=C(N1)C=CC(=C2)O)CC(=O)O
Depiction
Precursor
KMLNWQPYFBIALN-UHFFFAOYSA-N
1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-1H-indole-3-acetic acid
OC(=O)CC1=C(N(C2=C1C=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl)C
Abiotic
Depiction
Downstream Successor
FDADMESSMPJUJC-UHFFFAOYSA-N
O-Desmethyl-N-deschlorobenzoyl Indomethacin
CC1=C(C2=C(N1)C=CC(=C2)O)CC(=O)O

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.

Search with another depth
or Explore another compound
Higher depth reveals distant relationships but increases loading time.