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Depiction
Upstream Precursor
VGVHJWOUAFEHHA-UHFFFAOYSA-N
Labetalol-3-hydroxylated metabolite (VI)
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)O)O)C(=O)N)O
Depth 3
Depiction
Product
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O
Depiction
Upstream Precursor
DZBUYRWVQLOXQQ-UHFFFAOYSA-N
Labetalol acid
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)O)O
Depth 2
Depiction
Product
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O
Depiction
Upstream Precursor
OWDODYNOSWQAGH-UHFFFAOYSA-N
2-Hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)C(=O)N)O
Depth 2
Depiction
Product
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O

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Depiction
Precursor
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O
Depth 2
Depiction
Downstream Successor
IQFNSSXLMQNRQZ-UHFFFAOYSA-N
2,3-Dihydroxyhexa-2,4-dienedioic acid
OC(=C(C=CC(=O)O)O)C(O)=O
Depiction
Precursor
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O
Depth 2
Depiction
Downstream Successor
RGHMISIYKIHAJW-UHFFFAOYSA-N
(+-)-3,4-Dihydroxymandelic acid
OC(=O)C(C1=CC(=C(C=C1)O)O)O
Depiction
Precursor
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O
Depth 3
Depiction
Downstream Successor
HNZXTILLSIEXRZ-UHFFFAOYSA-N
2-(3,4-Dihydroxyphenyl)-2-oxoacetic acid
OC(=O)C(=O)C1=CC(=C(C=C1)O)O
Depiction
Precursor
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O
Depth 1
Depiction
Downstream Successor
SFLSHLFXELFNJZ-UHFFFAOYSA-N
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-
C1=CC(=CC(=C1O)O)C(CN)O
Depiction
Precursor
MJXLFGWFGCABOU-UHFFFAOYSA-N
4-(1-Hydroxy-2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O
Depth 1
Depiction
Downstream Successor
YUGMCLJIWGEKCK-UHFFFAOYSA-N
alpha,3,4-Trihydroxybenzeneacetaldehyde
c1(ccc(cc1O)C(C=O)O)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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