input word = C00035284

Metabolite InformationStructural formula
Name Crenulatoside C
(-)-Crenulatoside C
Formula C29H48O11
Mw 572.31966238
CAS RN 871734-11-1
C_ID C00035284 ,
InChIKey POHNOYDSEMHHEI-WFLTZIRTNA-N
InChICode InChI=1S/C29H48O11/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-36-28-26(35)24(33)23(32)21(40-28)15-37-29-27(39-20(6)30)25(34)22(31)19(5)38-29/h9,11,13,19,21-29,31-35H,7-8,10,12,14-15H2,1-6H3/b17-11+,18-13+/t19-,21-,22-,23+,24-,25+,26+,27+,28+,29+/m0/s1
SMILES CC(=O)O[C@H]1[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)O[C@@H](C)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Guloa crenulata Ref.
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