input word = C00020861

Metabolite InformationStructural formula
Name [3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
Formula C19H22O7
Mw 362.13655306
CAS RN 72635-12-2
C_ID C00020861 ,
InChIKey OTCUCZKFUJDMQL-RLUFTHTCNA-N
InChICode InChI=1S/C19H22O7/c1-8-12-6-7-19(5,23)14(12)16-13(9(2)18(22)26-16)17(25-11(4)21)15(8)24-10(3)20/h6-7,13-17,23H,2H2,1,3-5H3/t13-,14-,15-,16-,17+,19-/m0/s1
SMILES C12=C([C@@H]([C@@H]([C@@H]3[C@@H]([C@H]1[C@@](C=C2)(C)O)OC(=O)C3=C)OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAthanasia montana Ref.
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