input word = C00010514

Metabolite InformationStructural formula
Name Picroside II
Vanilloyl catalpol
Formula C23H28O13
Mw 512.15299098
CAS RN 39012-20-9
C_ID C00010514 ,
InChIKey AKNILCMFRRDTEY-QAQBPJJINA-N
InChICode InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13+,14+,15+,16-,17-,18-,19-,21-,22-,23+/m0/s1
SMILES [C@@H]12[C@H]([C@@H](OC=C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[C@@]1([C@H]([C@H]2OC(=O)c2cc(c(cc2)O)OC)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
PlantaePlantaginaceaePicrorhiza kurroa Ref.
PlantaePlantaginaceaePicrorhiza kurrooa Ref.
PlantaePlantaginaceaePicrorhiza scrophulariiflora Ref.
--Picrorrhiza kurrooa Ref.
--Picrorrhiza scrophulariflora Ref.
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OrganismPicrorhiza scrophulariiflora
ReferenceLi,Phytochem.,48,(1998),537