input word = C00035950

Metabolite InformationStructural formula
Name 4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin
4-O-(3-O-methyl-beta-D-glucopyranosyl)-diphyllin
Formula C28H28O12
Mw 556.15807636
CAS RN 213891-69-1
C_ID C00035950 ,
InChIKey IJNZCBYSQOHZML-GDAOLICLNA-N
InChICode InChI=1S/C28H28O12/c1-33-17-7-13-14(8-18(17)34-2)25(40-28-24(31)26(35-3)23(30)20(9-29)39-28)15-10-36-27(32)22(15)21(13)12-4-5-16-19(6-12)38-11-37-16/h4-8,20,23-24,26,28-31H,9-11H2,1-3H3/t20-,23-,24-,26+,28+/m1/s1
SMILES COc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeCleistanthus collinus Ref.
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