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@H]1(C[C@@]([C@@H]2[C@@](C1)([C@@H](C(=C)CC2)CCC1=CCOC1=O)C)(C)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaePhlogacanthus thyrsiflorus Ref.
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