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(S)-norcoclaurine

Properties Image MNX_ID MNXM1371122 reference chebi:58253 formula C16H18NO3 global charge 1 mol weight 272.324 InChIKey WZRCQWQRFZITDX-AWEZNQCLSA-O InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/p+1/t14-/m0/s1 SMILES Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1 MNX internals InChI (mnx) InChI=1/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m0/s1 SMILES (mnx) [CH2:1]1[C@H:4]([CH2:13][C:14]2=[CH:15][N:17]=[O:19]([OH:20])[O:18]=[CH:16]2)[c:2]2[c:3]([cH:8][c:9]([CH3:11])[c:10]([CH3:12])[cH:7]2)[CH2:6][CH2:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:58253 chebi:58253 WZRCQWQRFZITDX-AWEZNQCLSA-O	(S)-norcoclaurine (1S)-6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinolinium (S)-norcoclaurinium (S)-norcoclaurinium cation (S)-norcoclaurinium(1+)
vmhM:sncclrn vmhM:sncclrn vmhmetabolite:sncclrn vmhmetabolite:sncclrn WZRCQWQRFZITDX-AWEZNQCLSA-N	(S)-Norcoclaurine
seed.compound:cpd03675 seedM:cpd03675 WZRCQWQRFZITDX-AWEZNQCLSA-O	(S)-Norcoclaurine 6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4- tetrahydroisoquinoline 6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
kegg.compound:C06160 keggC:C06160 WZRCQWQRFZITDX-AWEZNQCLSA-N	(S)-Norcoclaurine 6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CHEBI:17729 chebi:17729 WZRCQWQRFZITDX-AWEZNQCLSA-N	(S)-norcoclaurine (1S)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol (S)-Norcoclaurine 6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
metacyc.compound:S-NORCOCLAURINE metacycM:S-NORCOCLAURINE WZRCQWQRFZITDX-AWEZNQCLSA-O	(S)-norcoclaurine 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6,7-isoquinolinediol
chebi:11069 chebi:18792 chebi:435 keggC:M_C06160 seedM:M_cpd03675 vmhM:M_sncclrn	secondary/obsolete/fantasy identifier