input word = C00012143

Metabolite InformationStructural formula
Name 2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
Formula C19H22O7
Mw 362.13655306
CAS RN 64173-40-4
C_ID C00012143 ,
InChIKey BCMUYGUCOSUWJQ-POHAHGRENA-N
InChICode InChI=1S/C19H22O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,12-13,15,23H,1,4,7-8H2,2-3,5H3/b10-6+/t12-,13-,15-,18-,19-/m0/s1
SMILES [C@@]12(C[C@@H]([C@@H]3[C@H](/C=C(/[C@@](CC1=O)(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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