input word = C00005327

Metabolite InformationStructural formula
Name Eupalin
Formula C23H24O11
Mw 476.13186161
CAS RN 29617-75-2
C_ID C00005327 ,
InChIKey CXVSHWFUBVZVSW-AUPKNNGVNA-N
InChICode InChI=1S/C23H24O11/c1-9-15(25)18(28)19(29)23(32-9)34-22-17(27)14-12(8-13(30-2)21(31-3)16(14)26)33-20(22)10-4-6-11(24)7-5-10/h4-9,15,18-19,23-26,28-29H,1-3H3/t9-,15-,18+,19-,23-/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(cc1)O)O)OC)OC
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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