input word = C00054369

Metabolite InformationStructural formula
Name 25-Acetylvulgaroside
Formula C27H42O7
Mw 478.2930537
CAS RN 172616-88-5
C_ID C00054369
InChIKey QNZZHRCSGTYEAW-REXWJDRESA-N
InChICode InChI=1S/C27H42O7/c1-16(29)33-23-17(13-22(31)34-23)18(30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21,32)15-28/h13,18-21,23,28,30,32H,6-12,14-15H2,1-5H3/t18?,19-,20+,21+,23?,25-,26+,27+/m0/s1
SMILES CC1(C)CCC[C@@]2(C)[C@@]1([H])CC[C@]3(C)[C@]2([H])CC[C@](CO)(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.
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