input word = C00005629

Metabolite InformationStructural formula
Name 6,8-Dihydroxykaempferol 3-rutinoside
Formula C27H30O17
Mw 626.14829954
CAS RN 160387-81-5
C_ID C00005629 ,
InChIKey QYGOLDXOFKERFE-XGECHEPLNA-N
InChICode InChI=1S/C27H30O17/c1-7-12(29)16(33)21(38)26(41-7)40-6-10-13(30)17(34)22(39)27(42-10)44-25-15(32)11-14(31)18(35)19(36)20(37)24(11)43-23(25)8-2-4-9(28)5-3-8/h2-5,7,10,12-13,16-17,21-22,26-31,33-39H,6H2,1H3/t7-,10+,12-,13+,16-,17+,21-,22+,26+,27-/m0/s1
SMILES c1(c(c(c2c(c1O)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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