input word = C00012215

Metabolite InformationStructural formula
Name Wunderolide
Formula C20H24O5
Mw 344.16237388
CAS RN 80368-05-4
C_ID C00012215 ,
InChIKey LLFFQXOEXCHHKX-HSBOBYCQNA-N
InChICode InChI=1S/C20H24O5/c1-5-13(3)19(22)24-17-10-15(11-21)8-6-7-12(2)9-16-18(17)14(4)20(23)25-16/h5,8-9,11,16-18H,4,6-7,10H2,1-3H3/b12-9-,13-5+,15-8+/t16-,17-,18-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWunderlichia mirabilis Ref.
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