input word = C00012989

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5beta,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-5,6-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one
Formula C15H20O4
Mw 264.13615913
CAS RN 83117-69-5
C_ID C00012989 ,
InChIKey YLOMXYRHZLBDPS-CYURRDIONA-N
InChICode InChI=1S/C15H20O4/c1-7-4-5-10(16)15(3)11(17)6-9-8(2)14(18)19-13(9)12(7)15/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11-,12+,13-,15+/m0/s1
SMILES [C@@H]1([C@]2([C@H](C(=C)CC1)[C@@H]1[C@@H](C[C@@H]2O)C(=C)C(=O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula heterolepis Ref.
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