input word = C00012698

Metabolite InformationStructural formula
Name [4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
Formula C15H24O3
Mw 252.17254463
CAS RN 70902-19-1
C_ID C00012698 ,
InChIKey VRAJVQFTZPGWKI-LRPXSDCBNA-N
InChICode InChI=1S/C15H24O3/c1-9-7-10(16)8-15(4)6-5-11(14(2,3)18)13(17)12(9)15/h7,11-13,17-18H,5-6,8H2,1-4H3/t11-,12-,13+,15+/m1/s1
SMILES CC1=CC(=O)C[C@]2(C)CC[C@@H](C(C)(C)O)[C@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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