input word = C00037666

Metabolite InformationStructural formula
Name Polygalaxanthone IV
Formula C27H32O15
Mw 596.17412036
CAS RN 440368-66-1
C_ID C00037666 ,
InChIKey LCUUDEGZJCYIRC-NKYGWOHGNA-N
InChICode InChI=1S/C27H32O15/c1-9-19(30)22(33)24(35)26(38-9)42-25-23(34)21(32)17(8-28)41-27(25)40-15-7-13-11(6-14(15)37-3)20(31)18-12(29)4-10(36-2)5-16(18)39-13/h4-7,9,17,19,21-30,32-35H,8H2,1-3H3/t9-,17+,19-,21+,22+,23-,24+,25+,26-,27+/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(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala tenuifolia Willd. Ref.
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