input word = C00005296

Metabolite InformationStructural formula
Name Kaempferide 5-glucoside-7-glucuronide
Formula C28H30O17
Mw 638.14829954
CAS RN 106327-65-5
C_ID C00005296 ,
InChIKey FBOLUQCMQZDDDO-GPMXDNCZNA-N
InChICode InChI=1S/C28H30O17/c1-40-10-4-2-9(3-5-10)24-20(34)17(31)15-12(42-24)6-11(41-27-23(37)19(33)21(35)25(45-27)26(38)39)7-13(15)43-28-22(36)18(32)16(30)14(8-29)44-28/h2-7,14,16,18-19,21-23,25,27-30,32-37H,8H2,1H3,(H,38,39)/t14-,16+,18-,19-,21-,22+,23+,25+,27+,28+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(cc1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeAlyssum desertorum Ref.
PlantaeCruciferaeAlyssum minimum Ref.
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