Graphs show a maximum of 100 compounds. Use downloads for complete results.
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
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
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
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Depiction
Upstream Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Product
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Depiction
Upstream Precursor
UYCIAXWHPSXRQM-UHFFFAOYSA-N
CC1CC2=CC=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O
Abiotic
Depiction
Product
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Depiction
Upstream Precursor
UYCIAXWHPSXRQM-UHFFFAOYSA-N
CC1CC2=CC=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O
Abiotic
Depiction
Product
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Depiction
Upstream Precursor
XCQROYNUWXJJPD-UHFFFAOYSA-N
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC(=C(C=C3)O)Cl)C(=O)O)Cl
Abiotic
Depiction
Product
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
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
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Depiction
Upstream Precursor
XCQROYNUWXJJPD-UHFFFAOYSA-N
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC(=C(C=C3)O)Cl)C(=O)O)Cl
Abiotic
Depiction
Product
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl

Previewing top 8 entries. If you want the full results, please use the download button above.

Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
PriorBiotransformation
Depiction
Downstream Successor
OUYCCCASQSFEME-UHFFFAOYSA-N
DL-Tyrosine
NC(C(=O)O)Cc1ccc(cc1)O
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Downstream Successor
OUYCCCASQSFEME-UHFFFAOYSA-N
DL-Tyrosine
NC(C(=O)O)Cc1ccc(cc1)O
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Downstream Successor
OUYCCCASQSFEME-UHFFFAOYSA-N
DL-Tyrosine
NC(C(=O)O)Cc1ccc(cc1)O
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
PriorBiotransformation
Depiction
Downstream Successor
JVGVDSSUAVXRDY-UHFFFAOYSA-N
(+-)-3-(4-Hydroxyphenyl)lactic acid
C(C(=O)O)(CC1=CC=C(C=C1)O)O
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
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
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Downstream Successor
WTDRDQBEARUVNC-UHFFFAOYSA-N
DL-Dopa
OC1=CC=C(C=C1O)CC(C(=O)O)N
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Downstream Successor
CHBKYLDKODNQJI-UHFFFAOYSA-N
NC(CC(C=CC(=O)O)=CC(O)=O)C(=O)O
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Downstream Successor
ACWBBAGYTKWBCD-UHFFFAOYSA-N
3-chlorotyrosine, DL-
NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Downstream Successor
ACWBBAGYTKWBCD-UHFFFAOYSA-N
3-chlorotyrosine, DL-
NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O
Depiction
Precursor
NMPHXGOYUUBGIK-UHFFFAOYSA-N
2-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)Cl
Abiotic
Depiction
Downstream Successor
DZGWFCGJZKJUFP-UHFFFAOYSA-N
Tyramine
NCCC1=CC=C(C=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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