3'-hydroxy-N-methyl-(S)-coclaurine

Chemical Formula:

C₁₈H₂₂NO₄

Molecular Weight:

316.376 Daltons

Monoisotopic Mass:

316.1548831998 Daltons

SMILES:

C1(CC3(C=C(OC)C(O)=CC([CH]([N+](C)1)CC2(C=C(O)C(O)=CC=2))=3))

InChI:

1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/p+1/t14-/m0/s1

InChIKey:

DAUPWJBRVZCBQB-AWEZNQCLSA-O

Synonyms

(S)-3-hydroxy-N-methylcoclaurine
4-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol-1-yl)methyl]benzene-1,2-diol

Databases

MetaCyc: 3-HYDROXY-N-METHYL-S-COCLAURINE

RefMet: (S)-3-Hydroxy-N-methylcoclaurine

HMDB: HMDB06921

ChEBI: 58010

PubChem (CID): 25203738 440591

KEGG: C05202

Seed: cpd03094

MetaNetX: MNXM1452