input word = C00012774

Metabolite InformationStructural formula
Name [1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
Formula C17H30O4
Mw 298.21440945
CAS RN 74799-31-8
C_ID C00012774 ,
InChIKey YUMLFEDZZCOBGJ-MWJGYPJQNA-N
InChICode InChI=1S/C17H30O4/c1-11(18)21-17(5)9-6-8-16(4)10-7-12(15(2,3)20)13(19)14(16)17/h12-14,19-20H,6-10H2,1-5H3/t12-,13+,14-,16-,17-/m1/s1
SMILES C1[C@]2([C@H]([C@](CC1)(C)OC(=O)C)[C@H]([C@@H](CC2)C(O)(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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