input word = C00012988

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5alpha,5abeta,6alpha,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-5,6-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
1alpha,9alpha-Dihydroxy-alpha-cyclocostunolide
Formula C15H20O4
Mw 264.13615913
CAS RN 100343-65-5
C_ID C00012988 ,
InChIKey UXGHAQBYGNOSGC-CCHMNWRHNA-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/h4,9-13,16-17H,2,5-6H2,1,3H3/t9-,10-,11+,12+,13-,15-/m0/s1
SMILES [C@H]1([C@@]2([C@H](C(=CC1)C)[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
PlantaeAsteraceaePluchea dioscorides Ref.
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OrganismPluchea dioscorides
ReferenceDawidar,Chem.Pharm.Bull.,33,(1985),5068