Graph preview: 0 of up to 100 nodes shown.
Graph preview: 0 of up to 100 nodes shown.

Tab counts show list preview rows. Graph preview may show more nodes, up to 100. Export generates the full dataset subject to format and size limits.

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(…
Depth 1
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
Depth 1
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
Depth 2
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
Depth 1
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 4 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
Depth 3
Depiction
Downstream Successor
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=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
Depth 1
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
Depth 3
Depiction
Downstream Successor
PAFLSMZLRSPALU-UHFFFAOYSA-N
3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid
C(C(C(=O)O)O)C1=CC(O)=C(C=C1)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
Depth 2
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
Depth 3
Depiction
Downstream Successor
YCCILVSKPBXVIP-UHFFFAOYSA-N
Tyrosol
C(Cc1ccc(O)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
Depth 2
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
Depth 3
Depiction
Downstream Successor
IPRPPFIAVHPVJH-UHFFFAOYSA-N
4-Hydroxyphenylacetaldehyde
C1=CC(=CC=C1O)CC=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
Depth 2
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
Depth 2
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
Depth 2
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.

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