input word = C00035285

Metabolite InformationStructural formula
Name Crenulatoside D
Formula C31H50O12
Mw 614.33022706
CAS RN 871734-12-2
C_ID C00035285 ,
InChIKey RWOYUZSKWXYWFT-YTGVXXBCNA-N
InChICode InChI=1S/C31H50O12/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-38-30-27(37)26(36)25(35)23(43-30)16-39-31-29(42-22(7)33)28(41-21(6)32)24(34)20(5)40-31/h10,12,14,20,23-31,34-37H,8-9,11,13,15-16H2,1-7H3/b18-12+,19-14+/t20-,23+,24-,25+,26-,27+,28+,29+,30+,31+/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OCC2O[C@@H](OC/C=C(C)CC/C=C(C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Guloa crenulata Ref.
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