Graph preview is limited for performance. Full results remain available through CSV export.
Depiction
Upstream Precursor
RWQKHEORZBHNRI-BMIGLBTASA-N
Ochratoxin A
C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(…
Abiotic
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
RWQKHEORZBHNRI-BMIGLBTASA-N
Ochratoxin A
C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(…
PriorBiotransformation
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
RWQKHEORZBHNRI-BMIGLBTASA-N
Ochratoxin A
C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(…
Abiotic
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
RWQKHEORZBHNRI-BMIGLBTASA-N
Ochratoxin A
C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(…
PriorBiotransformation
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Abiotic
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Environmental
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
CTWXSBYUJKOSJT-UHFFFAOYSA-N
CC(CC1=CC=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O
Abiotic
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
DAEYIVCTQUFNTM-UHFFFAOYSA-N
Ochratoxin B-d5
CC1CC2=CC=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O
Abiotic
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Depiction
Upstream Precursor
DAEYIVCTQUFNTM-UHFFFAOYSA-N
Ochratoxin B-d5
CC1CC2=CC=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O
PriorBiotransformation
Depiction
Product
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O

Previewing top 9 entries. If you want the full results, please use the download button above.

Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Environmental
Depiction
Downstream Successor
COLNVLDHVKWLRT-UHFFFAOYSA-N
Dl-Phenylalanine
C1=CC=CC=C1CC(C(=O)O)N
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Abiotic
Depiction
Downstream Successor
COLNVLDHVKWLRT-UHFFFAOYSA-N
Dl-Phenylalanine
C1=CC=CC=C1CC(C(=O)O)N
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Abiotic
Depiction
Downstream Successor
COLNVLDHVKWLRT-UHFFFAOYSA-N
Dl-Phenylalanine
C1=CC=CC=C1CC(C(=O)O)N
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Environmental
Depiction
Downstream Successor
COLNVLDHVKWLRT-UHFFFAOYSA-N
Dl-Phenylalanine
C1=CC=CC=C1CC(C(=O)O)N
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Environmental
Depiction
Downstream Successor
VOXXWSYKYCBWHO-UHFFFAOYSA-N
(+-)-3-Phenyllactic acid
C1=CC=C(C=C1)CC(C(=O)O)O
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Environmental
Depiction
Downstream Successor
JVGVDSSUAVXRDY-UHFFFAOYSA-N
(+-)-3-(4-Hydroxyphenyl)lactic acid
C(C(=O)O)(CC1=CC=C(C=C1)O)O
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Abiotic
Depiction
Downstream Successor
JVGVDSSUAVXRDY-UHFFFAOYSA-N
(+-)-3-(4-Hydroxyphenyl)lactic acid
C(C(=O)O)(CC1=CC=C(C=C1)O)O
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Environmental
Depiction
Downstream Successor
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phenethylamine
C(CC1=CC=CC=C1)N
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Abiotic
Depiction
Downstream Successor
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phenethylamine
C(CC1=CC=CC=C1)N
Depiction
Precursor
MGNPWPSPALQRGS-UHFFFAOYSA-N
3-[(1-Carboxy-2-phenylethyl)carbamoyl]-5-chloro-2-hydroxy-6-(2-hydroxypropyl)benzoic acid
CC(CC1=C(C=C(C(=C1C(=O)O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O
Abiotic
Depiction
Downstream Successor
HCMZNBGKEQEJED-UHFFFAOYSA-N
2-Amino-3-(4-oxocyclohexa-2,5-dien-1-yl)propanoic acid
C=1C(C=CC(CC(C(=O)O)N)C1)=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.

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