input word = C00017330

Metabolite InformationStructural formula
Name 3-Oxoxanthanodiene
[3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4a,5,7,9,9a-Hexahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2,6(3H,4H)-dione
Formula C15H18O3
Mw 246.12559444
CAS RN 100045-49-6
C_ID C00017330 ,
InChIKey ZDLJCMJBTXQHHW-ADKIRLCKNA-N
InChICode InChI=1S/C15H18O3/c1-8-11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)18-14(8)17/h4,9,11,13H,1,5-7H2,2-3H3/t9-,11+,13+,15+/m0/s1
SMILES C=C1C(=O)O[C@@H]2CC3=CCC(=O)[C@H](C)[C@@]3(C)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia achalensis Ref.
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