input word = C00012191

Metabolite InformationStructural formula
Name Deoxyrupatoripicrin
Desoxyrupatoripicrin
Formula C20H26O5
Mw 346.17802394
CAS RN 70550-00-4
C_ID C00012191 ,
InChIKey LQAWDKQOLJURMN-CWYPCUTDNA-N
InChICode InChI=1S/C20H26O5/c1-5-15(11-21)20(23)25-17-10-13(3)8-6-7-12(2)9-16-18(17)14(4)19(22)24-16/h5,8-9,16-18,21H,4,6-7,10-11H2,1-3H3/b12-9+,13-8+,15-5+/t16-,17+,18-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)CC/C=C(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium serotinum Ref.
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