input word = C00020812

Metabolite InformationStructural formula
Name [3aS-(3aalpha,9aalpha,9bbeta)]-3,3a,4,5,9a,9b-Hexahydro-9a-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2,7-dione
Formula C15H16O4
Mw 260.104859
CAS RN 126705-51-9
C_ID C00020812 ,
InChIKey YHDASZCBNPALIL-PZGUQZKGNA-N
InChICode InChI=1S/C15H16O4/c1-7-4-5-10-9(3)14(17)19-13(10)15(18)8(2)6-11(16)12(7)15/h6,10,13,18H,3-5H2,1-2H3/t10-,13-,15+/m0/s1
SMILES C12=C(CC[C@@H]3[C@@H]([C@]1(C(=CC2=O)C)O)OC(=O)C3=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePeyrousea umbellata Ref.
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