input word = C00042864

Metabolite InformationStructural formula
Name Polygalaxanthone X
Formula C29H36O16
Mw 640.20033511
CAS RN 857859-81-5
C_ID C00042864 ,
InChIKey XLIRDJZRGNDSCS-HBOUKCPDNA-N
InChICode InChI=1S/C29H36O16/c1-10-19(31)22(34)24(36)28(41-10)45-27-23(35)21(33)17(9-30)44-29(27)43-14-7-12-11(6-13(14)37-2)20(32)18-15(42-12)8-16(38-3)25(39-4)26(18)40-5/h6-8,10,17,19,21-24,27-31,33-36H,9H2,1-5H3/t10-,17+,19-,21+,22+,23-,24+,27+,28-,29+/m0/s1
SMILES c12c(c(=O)c3c(o1)cc(c(c3)OC)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)c(c(c(c2)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala tenuifolia Ref.
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