input word = C00009032

Metabolite InformationStructural formula
Name 3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Formula C28H36O11
Mw 548.22576199
CAS RN 118555-86-5
C_ID C00009032 ,
InChIKey XNNDZBMILDKUOB-ZQQQULPENA-N
InChICode InChI=1S/C28H36O11/c1-13(2)5-10-16-17(37-28-23(33)22(32)21(31)19(12-29)38-28)11-18(35-3)20-26(16)39-25(24(34)27(20)36-4)14-6-8-15(30)9-7-14/h5-9,11,19,21-25,27-34H,10,12H2,1-4H3/t19-,21+,22-,23+,24+,25+,27-,28+/m0/s1
SMILES c1(cc(c2c(c1CC=C(C)C)O[C@@H]([C@H]([C@H]2OC)O)c1ccc(cc1)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMarshallia mohrii Ref.
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