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(+)-pinoresinol

PropertiesImage
MNX_IDMNXM5999 Image of MNXM5999
referencechebi:40
formulaC20H22O6
global charge0
mol weight358.39
InChIKeyHGXBRUKMWQGOIE-AFHBHXEDSA-N
InChIInChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
SMILESCOC1=C(O)C=CC([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C2=CC(OC)=C(O)C=C2)=C1
MNX internals
InChI (mnx)InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1 Image of MNXM5999
SMILES (mnx)[CH3:1][O:23][C:17]1=[C:15]([OH:21])[CH:5]=[CH:3][C:11]([C@@H:19]2[C@H:13]3[CH2:9][O:26][C@H:20]([C:12]4=[CH:8][C:18]([O:24][CH3:2])=[C:16]([OH:22])[CH:6]=[CH:4]4)[C@H:14]3[CH2:10][O:25]2)=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)16
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:40
chebi:40
HGXBRUKMWQGOIE-AFHBHXEDSA-N 		(+)-pinoresinol
(7alpha,7'alpha,8alpha,8'alpha)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol
4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol)
pinoresinol

kegg.compound:C05366
keggC:C05366
HGXBRUKMWQGOIE-AFHBHXEDSA-N 		(+)-Pinoresinol

seed.compound:cpd12716
seedM:cpd12716
HGXBRUKMWQGOIE-AFHBHXEDSA-N 		(+)-Pinoresinol
(+)-pinoresinol

metacyc.compound:CPD-8905
metacycM:CPD-8905
HGXBRUKMWQGOIE-AFHBHXEDSA-N 		(+)-pinoresinol

keggC:M_C05366
seedM:M_cpd12716 		secondary/obsolete/fantasy identifier