input word = C00054368

Metabolite InformationStructural formula
Name 24,25-Diacetylvulgaroside
Formula C29H44O8
Mw 520.30361838
CAS RN 172616-87-4
C_ID C00054368
InChIKey CQEKWFACITVTKT-XJRIJVGJSA-N
InChICode InChI=1S/C29H44O8/c1-17(30)35-16-29(34)13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(32)19-14-24(33)37-25(19)36-18(2)31/h14,20-23,25,32,34H,7-13,15-16H2,1-6H3/t20?,21-,22+,23+,25?,27-,28+,29+/m0/s1
SMILES CC1(C)CCC[C@@]2(C)[C@@]1([H])CC[C@]3(C)[C@]2([H])CC[C@](COC(C)=O)(O)[C@@H]3CC(O)C(C(OC(C)=O)O4)=CC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCydonia vulgaris Ref.
zoom in