input word = C00013012

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6-hydroxy-9-(hydroxymethyl)-5a-methyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Formula C15H22O4
Mw 266.15180919
CAS RN 92632-21-8
C_ID C00013012 ,
InChIKey TZPNSKUJWADAOC-KCMRMCOANA-N
InChICode InChI=1S/C15H22O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h9-13,16-17H,1,3-7H2,2H3/t9-,10-,11+,12+,13-,15-/m0/s1
SMILES [C@@H]1([C@]2([C@H]([C@@H](CC1)CO)[C@@H]1[C@@H](CC2)C(=C)C(=O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSonchus macrocarpus Ref.
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