input word = C00017327

Metabolite InformationStructural formula
Name Xanthanodiene
[3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4,4a,5,6,7,9,9a-octahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
Formula C15H20O2
Mw 232.14632988
CAS RN 60362-06-3
C_ID C00017327 ,
InChIKey JCQHNWRLZMISTB-FZRIVZQBNA-N
InChICode InChI=1S/C15H20O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h6,9,12-13H,2,4-5,7-8H2,1,3H3/t9-,12+,13+,15+/m0/s1
SMILES C1C[C@@H]([C@@]2(C(=C1)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium canadense Ref.
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