input word = C00008727

Metabolite InformationStructural formula
Name Cedrinoside
Formula C22H24O13
Mw 496.12169086
CAS RN 75423-03-9
C_ID C00008727 ,
InChIKey AWYLNDFFTMTJHQ-HVADCBELNA-N
InChICode InChI=1S/C22H24O13/c1-6-8(24)4-10-13(14(6)26)17(29)19(31)21(33-10)7-2-9(25)15(27)11(3-7)34-22-20(32)18(30)16(28)12(5-23)35-22/h2-4,12,16,18-28,30-32H,5H2,1H3/t12-,16-,18+,19-,20-,21-,22-/m1/s1
SMILES Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1cc(O)c(O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeCedrus deodara Ref.
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