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(R)-norcoclaurine

PropertiesImage
MNX_IDMNXM114578 Image of MNXM114578
referencechebi:27751
formulaC16H17NO3
global charge0
mol weight271.316
InChIKeyWZRCQWQRFZITDX-CQSZACIVSA-N
InChIInChI=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/t14-/m1/s1
SMILESOC1=CC=C(C[C@H]2NCCC3=CC(O)=C(O)C=C32)C=C1
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-/m1/s1 Image of MNXM114578
SMILES (mnx)[CH:1]1=[CH:3][C:12]([OH:18])=[CH:4][CH:2]=[C:10]1[CH2:7][C@@H:14]1[C:13]2=[CH:9][C:16]([OH:20])=[C:15]([OH:19])[CH:8]=[C:11]2[CH2:5][CH2:6][NH:17]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27751
chebi:27751
WZRCQWQRFZITDX-CQSZACIVSA-N 		(R)-norcoclaurine
(+)-Demethylcoclaurine
(+)-demethylcoclaurine
(1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
(R)-Norcoclaurine
6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
6,7-dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

seed.compound:cpd03788
seedM:cpd03788
WZRCQWQRFZITDX-CQSZACIVSA-O 		(R)-Norcoclaurine
(+)-Demethylcoclaurine
(R)-norcoclaurine
6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4- tetrahydroisoquinoline
6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

kegg.compound:C06347
keggC:C06347
WZRCQWQRFZITDX-CQSZACIVSA-N 		(R)-Norcoclaurine
(+)-Demethylcoclaurine
6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

metacyc.compound:R-NORCOCLAURINE
metacycM:R-NORCOCLAURINE
WZRCQWQRFZITDX-CQSZACIVSA-O 		(R)-norcoclaurine

chebi:18692
chebi:347
keggC:M_C06347
seedM:M_cpd03788 		secondary/obsolete/fantasy identifier