input word = C00009031

Metabolite InformationStructural formula
Name 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Formula C27H34O11
Mw 534.21011193
CAS RN 118555-85-4
C_ID C00009031 ,
InChIKey PGDJCLDVQNXSOE-SOPFKOEDNA-N
InChICode InChI=1S/C27H34O11/c1-12(2)4-9-15-16(36-27-24(34)22(32)20(30)18(11-28)37-27)10-17(35-3)19-21(31)23(33)25(38-26(15)19)13-5-7-14(29)8-6-13/h4-8,10,18,20-25,27-34H,9,11H2,1-3H3/t18-,20+,21-,22-,23-,24+,25+,27+/m0/s1
SMILES COc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(CC=C(C)C)c2c1[C@H](O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMarshallia mohrii Ref.
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