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 c12c(oc3c(c1=O)cc(cc3)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)cccc2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala caudata Ref.
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