input word = C00020228

Metabolite InformationStructural formula
Name [1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione
Formula C15H22O3
Mw 250.15689457
CAS RN 79491-74-0
C_ID C00020228 ,
InChIKey SAZXHDLQQODFPM-MPRUIPRUNA-N
InChICode InChI=1S/C15H22O3/c1-8(2)15(18)12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,8-9,11-12,18H,6-7H2,1-4H3/t9-,11+,12-,15-/m0/s1
SMILES C1(=O)C(=C[C@H]2[C@H](C1)[C@H](CC(=O)[C@@]2(C(C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina adenophora Ref.
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