input word = C00040043

Metabolite InformationStructural formula
Name Polycaudoside A
Formula C25H28O3
Mw 376.20384476
CAS RN 244129-36-0
C_ID C00040043 ,
InChIKey SACUUGUGVGKUPL-HETMWRNHNA-N
InChICode InChI=1S/C25H28O13/c1-9-17(28)20(31)22(33)24(34-9)38-23-21(32)19(30)15(8-26)37-25(23)35-10-5-6-13-11(7-10)18(29)16-12(27)3-2-4-14(16)36-13/h2-7,9,15,17,19-28,30-33H,8H2,1H3/t9-,15+,17-,19+,20+,21-,22+,23+,24-,25+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc4oc5cccc(O)c5c(=O)c4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala caudata Ref.
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OrganismPolygala caudata
ReferenceLi,Phytochem.,51,(1999),953