input word = C00023469

Metabolite InformationStructural formula
Name Bartemidiolide
Formula C20H22O6
Mw 358.14163844
CAS RN 114360-14-4
C_ID C00023469 ,
InChIKey KAKQJNJAIGSYIU-LCWKGPRBNA-N
InChICode InChI=1S/C20H22O6/c1-10-3-5-20-14(7-12(24-17(20)22)15-18(20,2)26-15)19(10)8-13(25-16(19)21)11-4-6-23-9-11/h4,6,9-10,12-15H,3,5,7-8H2,1-2H3/t10-,12-,13-,14-,15+,18+,19-,20-/m0/s1
SMILES [C@@H]12[C@@H]3[C@]([C@@]4([C@@H](C1)[C@]1([C@H](CC4)C)C(=O)O[C@@H](C1)c1cocc1)C(=O)O2)(O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis artemisioides Ref.
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OrganismBaccharis artemisioides
ReferenceTonn,Phytochem.,27,(1988),489