Graphs show a maximum of 100 compounds. Use downloads for complete results.
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
9 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
6 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
6 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
6 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
9 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
9 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
8 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
10 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
12 steps
Depiction
Dead-End Product
WCJLIWFWHPOTAC-UHFFFAOYSA-N
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
12 steps
Depiction
Dead-End Product
HJEBWCDVXVPBRC-UHFFFAOYSA-N
C(=C(C(=C(O)C(=O)O)O)O)([N+](=O)[O-])C(O)=O

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

Depiction
Upstream Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Product
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Depiction
Upstream Precursor
LQWPRENBLIBJOT-UHFFFAOYSA-N
CCN(CC)C1=CC(=C(C=C1Cl)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C…
Abiotic
Depiction
Product
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Depiction
Upstream Precursor
LXIYRLZUBXIMCK-UHFFFAOYSA-N
CCN(CC)C1=C(C(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=…
Abiotic
Depiction
Product
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Depiction
Upstream Precursor
LQWPRENBLIBJOT-UHFFFAOYSA-N
CCN(CC)C1=CC(=C(C=C1Cl)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C…
Abiotic
Depiction
Product
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Depiction
Upstream Precursor
LXIYRLZUBXIMCK-UHFFFAOYSA-N
CCN(CC)C1=C(C(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=…
Abiotic
Depiction
Product
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Depiction
Upstream Precursor
CAOLIUFERHDTSZ-UHFFFAOYSA-N
CCN(CC)C1=C(C(=C(C=C1Cl)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(…
Abiotic
Depiction
Product
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…

Previewing top 6 entries. If you want the full results, please use the download button above.

Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
PriorBiotransformation
Depiction
Downstream Successor
IKHGUXGNUITLKF-UHFFFAOYSA-N
Acetaldehyde
C(C)=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
IKHGUXGNUITLKF-UHFFFAOYSA-N
Acetaldehyde
C(C)=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Ethanol
C(C)O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
HPNMFZURTQLUMO-UHFFFAOYSA-O
Diethylammonium
CC[NH2+]CC
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
PriorBiotransformation
Depiction
Downstream Successor
HPNMFZURTQLUMO-UHFFFAOYSA-O
Diethylammonium
CC[NH2+]CC
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
HPNMFZURTQLUMO-UHFFFAOYSA-O
Diethylammonium
CC[NH2+]CC
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
FVCOIAYSJZGECG-UHFFFAOYSA-N
Diethylhydroxylamine
CCN(CC)O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
RLNVKYOMCJCALP-UHFFFAOYSA-N
CCN(CC)C(=CC(O)=O)C=CC(O)=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
DHOKBXNAFUPXHZ-UHFFFAOYSA-N
CCN(CC)C(=C(O)C(=O)O)C=CC(O)=O
Depiction
Precursor
XFNQNJLFAQFDND-UHFFFAOYSA-N
5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-hydroxyphenyl)-3-(2-ethoxy-5-(phenylamino)phenyl)-1,3-dihydro-1-oxo-
CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=C…
Abiotic
Depiction
Downstream Successor
BURCPFYDKZKXSX-UHFFFAOYSA-O
CC[N+](CC)(C(C=CC(=O)O)=CC(O)=O)Cl

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

No Original Precursors

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