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Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
13 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
16 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
10 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
9 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
13 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
13 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
14 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
14 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
20 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
13 steps
Depiction
Dead-End Product
CPRDLBPDNZTCSM-UHFFFAOYSA-N
But-1-ene-1,1-diol
CCC=C(O)O

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Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
Abiotic
Depiction
Downstream Successor
ITQTTZVARXURQS-UHFFFAOYSA-O
3-Methylpyridin-1-ium
CC1=C[NH+]=CC=C1
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
PriorBiotransformation
Depiction
Downstream Successor
ITQTTZVARXURQS-UHFFFAOYSA-O
3-Methylpyridin-1-ium
CC1=C[NH+]=CC=C1
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
Abiotic
Depiction
Downstream Successor
ITQTTZVARXURQS-UHFFFAOYSA-O
3-Methylpyridin-1-ium
CC1=C[NH+]=CC=C1
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
Abiotic
Depiction
Downstream Successor
GOHPTLYPQCTZSE-UHFFFAOYSA-N
2,2-Dimethylsuccinic acid
CC(CC(=O)O)(C(=O)O)C
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
Abiotic
Depiction
Downstream Successor
GOHPTLYPQCTZSE-UHFFFAOYSA-N
2,2-Dimethylsuccinic acid
CC(CC(=O)O)(C(=O)O)C
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
Abiotic
Depiction
Downstream Successor
GOHPTLYPQCTZSE-UHFFFAOYSA-N
2,2-Dimethylsuccinic acid
CC(CC(=O)O)(C(=O)O)C
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
PriorBiotransformation
Depiction
Downstream Successor
GOHPTLYPQCTZSE-UHFFFAOYSA-N
2,2-Dimethylsuccinic acid
CC(CC(=O)O)(C(=O)O)C
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
Abiotic
Depiction
Downstream Successor
DMGGLIWGZFZLIY-UHFFFAOYSA-N
3-Picoline-N-oxide
Cc1c[n+](ccc1)[O-]
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
Abiotic
Depiction
Downstream Successor
DJDHHXDFKSLEQY-UHFFFAOYSA-N
5-Methylnicotinic acid
CC1=CC(=CN=C1)C(=O)O
Depiction
Precursor
QCQCHGYLTSGIGX-GHXANHINSA-N
4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methylpyridine-3-carbonyl)amino]-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid
CC1=CC(=CN=C1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C…
PriorBiotransformation
Depiction
Downstream Successor
DJDHHXDFKSLEQY-UHFFFAOYSA-N
5-Methylnicotinic acid
CC1=CC(=CN=C1)C(=O)O

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No Original Precursors

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No All Precursors

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