input word = C00005665

Metabolite InformationStructural formula
Name Eupatolin
Formula C23H24O12
Mw 492.12677623
CAS RN 29725-50-6
C_ID C00005665 ,
InChIKey NVZCGVLCUJLTSA-LYSQOBBCNA-N
InChICode InChI=1S/C23H24O12/c1-8-15(26)18(29)19(30)23(33-8)35-22-17(28)14-12(7-13(31-2)21(32-3)16(14)27)34-20(22)9-4-5-10(24)11(25)6-9/h4-8,15,18-19,23-27,29-30H,1-3H3/t8-,15-,18+,19-,23-/m0/s1
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(=O)c2c(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina calophylla Ref.
PlantaeAsteraceaeAgeratina saltillensis Ref.
PlantaeAsteraceaeBrickellia vernicosa Ref.
PlantaeAsteraceaeEupatorium ligustrinum Ref.
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