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 CC(=O)OC[C@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1CC(O)C1=CC(=O)OC1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCydonia vulgaris Ref.
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OrganismCydonia vulgaris
ReferenceDe Tommasi, N. et al., J. Nat. Prod., 1996, 59, 267 (isol, pmr, cmr)