input word = C00012142

Metabolite InformationStructural formula
Name 7-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
Formula C21H26O8
Mw 406.16276781
CAS RN 64173-38-2
C_ID C00012142 ,
InChIKey ATHCECYLBAJRAU-XFFZJAGNNA-N
InChICode InChI=1S/C21H26O8/c1-10(2)18(23)28-16-8-14-12(4)19(24)27-15(14)7-11(3)21(25)9-17(26-13(5)22)20(16,6)29-21/h7,14-17,25H,1,4,8-9H2,2-3,5-6H3/b11-7+/t14-,15-,16+,17-,20+,21+/m1/s1
SMILES [C@@]12([C@H](C[C@H]3[C@@H](/C=C(/[C@@](C[C@H]1OC(=O)C)(O)O2)\C)OC(=O)C3=C)OC(=O)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea zacatechichi Ref.
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