input word = C00042862

Metabolite InformationStructural formula
Name Polygalaxanthone IX
Formula C25H28O14
Mw 552.14790561
CAS RN 857859-80-4
C_ID C00042862 ,
InChIKey VWOARAFDOWHQIV-SRTSFNPQNA-N
InChICode InChI=1S/C25H28O14/c1-8-17(29)20(32)22(34)24(35-8)39-23-21(33)19(31)15(7-26)38-25(23)36-10-5-12(28)16-14(6-10)37-13-3-2-9(27)4-11(13)18(16)30/h2-6,8,15,17,19-29,31-34H,7H2,1H3/t8-,15+,17-,19+,20+,21-,22+,23+,24-,25-/m0/s1
SMILES c12c(c(=O)c3c(o1)cc(cc3O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO)cc(cc2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala tenuifolia Ref.
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