input word = C00031032

Metabolite InformationStructural formula
Name (+)-Pinoresinol di-O-beta-D-glucopyranoside
Formula C32H42O16
Mw 682.2472853
CAS RN 63902-38-5
C_ID C00031032 ,
InChIKey ZJSJQWDXAYNLNS-DKWSDEIMNA-N
InChICode InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
SMILES COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaEnterococcaceaeEnterococcus faecalis Ref.
PlantaeBalanophoraceaeBalanophora japonica Ref.
PlantaeThymelaeaceaeStellera chamaejasme L. Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismStellera chamaejasme L.
ReferenceJiang,Chem.Pharm.Bull.,50,(2002),137