input word = C00012131

Metabolite InformationStructural formula
Name [4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Formula C21H28O9
Mw 424.17333249
CAS RN 71305-76-5
C_ID C00012131 ,
InChIKey DWVXOZJBHATQHS-NTEUORMPNA-N
InChICode InChI=1S/C21H28O9/c1-6-15(23)29-17-11(2)20(5,25)21(26)8-7-19(4,30-21)9-14-16(17)13(18(24)28-14)10-27-12(3)22/h9,11,17,25-26H,6-8,10H2,1-5H3/b14-9+/t11-,17-,19-,20+,21+/m1/s1
SMILES CCC(=O)OC1C2=C(COC(C)=O)C(=O)O/C2=C/C2(C)CCC(O)(O2)C(C)(O)C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia scorpioides Ref.
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OrganismVernonia scorpioides
ReferenceCowall,J.Org.Chem.,46,(1981),1108

Herz,Phytochem.,22,(1983),1286