input word = C00035121

Metabolite InformationStructural formula
Name Kapinnatoside
Formula C26H28O14
Mw 564.14790561
CAS RN 912850-90-9
C_ID C00035121 ,
InChIKey HLPYRSVVUHDPSQ-GPMOXEERNA-N
InChICode InChI=1S/C26H28O14/c1-9-17(31)20(34)24(40-25-21(35)18(32)14(30)8-36-25)26(37-9)39-23-19(33)16-13(29)6-12(28)7-15(16)38-22(23)10-2-4-11(27)5-3-10/h2-7,9,14,17-18,20-21,24-32,34-35H,8H2,1H3/t9-,14-,17-,18-,20+,21+,24+,25-,26-/m0/s1
SMILES C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe pinnata Ref.
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OrganismKalanchoe pinnata
ReferenceMuzitano,Phytochem.,67,(2006),2071