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(-)-pinoresinol

PropertiesImage
MNX_IDMNXM9365 Image of MNXM9365
referencechebi:67245
formulaC20H22O6
global charge0
mol weight358.39
InChIKeyHGXBRUKMWQGOIE-NSMLZSOPSA-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+/m1/s1
SMILESCOC1=CC([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3C2=CC(OC)=C(O)C=C2)=CC=C1O
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+/m1/s1 Image of MNXM9365
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)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67245
chebi:67245
HGXBRUKMWQGOIE-NSMLZSOPSA-N 		(-)-pinoresinol
(7beta,7'beta,8beta,8'beta)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol
4,4'-(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol)

kegg.compound:C20455
keggC:C20455
HGXBRUKMWQGOIE-NSMLZSOPSA-N 		(-)-Pinoresinol

metacyc.compound:CPD-8906
metacycM:CPD-8906
HGXBRUKMWQGOIE-NSMLZSOPSA-N 		(-)-pinoresinol

seed.compound:cpd07758
seedM:cpd07758
HGXBRUKMWQGOIE-NSMLZSOPSA-N 		Pinoresinol
(-)-Pinoresinol
(-)-pinoresinol

keggC:M_C20455
seedM:M_cpd07758 		secondary/obsolete/fantasy identifier