input word = C00009033

Metabolite InformationStructural formula
Name 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside)
Formula C32H42O15
Mw 666.25237067
CAS RN 118555-87-6
C_ID C00009033 ,
InChIKey SGQQCSHVXAXBTJ-PYPWMTMTNA-N
InChICode InChI=1S/C32H42O15/c1-13(2)4-9-16-17(34)10-19(42-3)21-29(16)46-28(14-5-7-15(33)8-6-14)27(41)30(21)47-32-26(40)24(38)23(37)20(45-32)12-44-31-25(39)22(36)18(35)11-43-31/h4-8,10,18,20,22-28,30-41H,9,11-12H2,1-3H3/t18-,20-,22-,23-,24-,25-,26-,27-,28-,30+,31-,32+/m1/s1
SMILES c1(cc(c2c(c1CC=C(C)C)O[C@@H]([C@H]([C@H]2O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)O)O)c1ccc(cc1)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMarshallia mohrii Ref.
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