input word = C00013222

Metabolite InformationStructural formula
Name [4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone
Formula C12H20O3
Mw 212.1412445
CAS RN 125411-05-4
C_ID C00013222 ,
InChIKey IXEFTKFHVFNPAE-IHABCUPINA-N
InChICode InChI=1S/C12H20O3/c1-11-6-5-10(14)12(2,15)9(11)4-3-8(13)7-11/h9-10,14-15H,3-7H2,1-2H3/t9-,10+,11-,12-/m1/s1
SMILES [C@@]12(CC[C@@H]([C@]([C@@H]1CCC(=O)C2)(C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea arguta Ref.
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