input word = C00022231

Metabolite InformationStructural formula
Name Phloganthoside
Formula C26H40O9
Mw 496.26723288
CAS RN 108906-55-4
C_ID C00022231 ,
InChIKey HIXYOYFHACNMSL-GHBTUIFHNA-N
InChICode InChI=1S/C26H40O9/c1-14-4-7-19-25(2,13-34-24-22(31)21(30)20(29)18(12-27)35-24)10-16(28)11-26(19,3)17(14)6-5-15-8-9-33-23(15)32/h8,16-22,24,27-31H,1,4-7,9-13H2,2-3H3/t16-,17-,18-,19-,20+,21+,22-,24-,25+,26+/m1/s1
SMILES C=C1CCC2[C@](C)(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C[C@@H](O)C[C@@]2(C)[C@@H]1CCC1=CCOC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaePhlogacanthus thyrsiflorus Ref.
zoom in