input word = C00035282

Metabolite InformationStructural formula
Name Crenulatoside A
(-)-Crenulatoside A
Formula C27H46O10
Mw 530.30909769
CAS RN 871734-09-7
C_ID C00035282 ,
InChIKey AYTSZOQQCRMDSJ-VGIVIYPRNA-N
InChICode InChI=1S/C27H46O10/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-34-26-25(33)23(31)21(29)19(37-26)14-35-27-24(32)22(30)20(28)18(5)36-27/h8,10,12,18-33H,6-7,9,11,13-14H2,1-5H3/b16-10+,17-12+/t18-,19+,20-,21-,22+,23-,24+,25+,26+,27+/m0/s1
SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1OC(CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Guloa crenulata Ref.
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