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norcoclaurine

PropertiesImage
MNX_IDMNXM1371123 Image of MNXM1371123
referencechebi:58482
formulaC16H18NO3
global charge1
mol weight272.324
InChIKeyWZRCQWQRFZITDX-UHFFFAOYSA-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
SMILESOc1ccc(CC2[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? Image of MNXM1371123
SMILES (mnx)[CH2:1]1[CH: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
IdentifierDescription

CHEBI:58482
chebi:58482
WZRCQWQRFZITDX-UHFFFAOYSA-O 		norcoclaurine
(RS)-norcoclaurinium
(RS)-norcoclaurinium cation
6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinolinium
hmdb:HMDB0033103
WZRCQWQRFZITDX-UHFFFAOYSA-N 		(R)-Higenamine
(+)-Demethylcoclaurine
(+-)-1,2,3,4-Tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol
(+-)-Demethylcoclaurine
(+-)-Norcoclaurine
(+-)-O-Demethylcoclaurine
(R)-Norcoclaurine
(R,S)-Norcoclaurine
1(S)-Norcoclaurine
1-(P-Hydroxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Higenamine
Higenamine hydrobromide, (+-)-isomer
Higenamine hydrochloride, (S)-isomer
Higenamine oxalate (1:1), (+-)-isomer
Higenamine, tartrate (1:1), R-(r*,r*)-(+-)-isomer
Norcoclaurine
O-Demethylcoclaurine
higenamine

sabiork.compound:8564
sabiorkM:8564
WZRCQWQRFZITDX-UHFFFAOYSA-N 		(R,S)-Norcoclaurine
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4- tetrahydroisoquinoline
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Norcoclaurine

kegg.compound:C06346
keggC:C06346
WZRCQWQRFZITDX-UHFFFAOYSA-N 		(R,S)-Norcoclaurine
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Higenamine
Norcoclaurine

CHEBI:18418
chebi:18418
WZRCQWQRFZITDX-UHFFFAOYSA-N 		(RS)-norcoclaurine
(+-)-1,2,3,4-Tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol
(+-)-Demethylcoclaurine
(+-)-Norcoclaurine
(+-)-O-Demethylcoclaurine
(R,S)-Norcoclaurine
1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Higenamine
Norcoclaurine

vmhM:ncclrn
vmhM:ncclrn
vmhmetabolite:ncclrn
vmhmetabolite:ncclrn
WZRCQWQRFZITDX-UHFFFAOYSA-N 		Norcoclaurine

seed.compound:cpd03787
seedM:cpd03787
WZRCQWQRFZITDX-UHFFFAOYSA-O 		Norcoclaurine
(R,S)-Norcoclaurine
(S)-norcoclaurine
1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6,7-isoquinolinediol
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4- tetrahydroisoquinoline
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Higenamine

metacyc.compound:CPD-21764
metacycM:CPD-21764
WZRCQWQRFZITDX-UHFFFAOYSA-O 		norcoclaurine
1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6,7-isoquinolinediol

hmdb:HMDB33103
chebi:11021
chebi:18714
chebi:361
keggC:M_C06346
seedM:M_cpd03787
vmhM:M_ncclrn 		secondary/obsolete/fantasy identifier