input word = C00042865

Metabolite InformationStructural formula
Name Polygalaxanthone XI
Formula C25H28O15
Mw 568.14282023
CAS RN 857859-82-6
C_ID C00042865 ,
InChIKey SOLSESUZRVJLIT-RSJSDEICNA-N
InChICode InChI=1S/C25H28O15/c1-36-13-4-12-8(2-10(13)28)16(30)9-3-11(29)15(18(32)20(9)38-12)21-22(19(33)17(31)14(5-26)39-21)40-24-23(34)25(35,6-27)7-37-24/h2-4,14,17,19,21-24,26-29,31-35H,5-7H2,1H3/t14-,17-,19+,21+,22-,23+,24+,25-/m1/s1
SMILES c12c(c(=O)c3c(o1)c(c(c(c3)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)O)O)CO)O)cc(c(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala tenuifolia Ref.
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