input word = C00020825

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5beta,6aalpha,9aalpha,9bbeta)]-Octahydro-5-hydroxy-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2,8(3H,4H)-dione
Formula C15H16O4
Mw 260.104859
CAS RN 71305-85-6
C_ID C00020825 ,
InChIKey OPCVSKQBBWXUMQ-KKSNSTADNA-N
InChICode InChI=1S/C15H16O4/c1-6-9-4-12(17)8(3)13(9)14-10(5-11(6)16)7(2)15(18)19-14/h9-11,13-14,16H,1-5H2/t9-,10-,11-,13-,14-/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H](C[C@@H](C1=C)O)C(=C)C(=O)O3)C(=C)C(=O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia scorpioides Ref.
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