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(S)-norcoclaurine

PropertiesImage
MNX_IDMNXM1371122 Image of MNXM1371122
referencechebi:58253
formulaC16H18NO3
global charge1
mol weight272.324
InChIKeyWZRCQWQRFZITDX-AWEZNQCLSA-O
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/p+1/t14-/m0/s1
SMILESOC1=CC=C(C[C@@H]2[NH2+]CCC3=C2C=C(O)C(O)=C3)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-/m0/s1 Image of MNXM1371122
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)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

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
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