input word = C00005168

Metabolite InformationStructural formula
Name Kaempferol 3-rungioside
Formula C27H30O15
Mw 594.15847029
CAS RN 28447-29-2
C_ID C00005168 ,
InChIKey YFPYXTNSQOUHPS-GAGWRGBFNA-N
InChICode InChI=1S/C27H30O15/c1-9-17(32)20(35)21(36)26(38-9)41-24-18(33)15(8-28)40-27(22(24)37)42-25-19(34)16-13(31)6-12(30)7-14(16)39-23(25)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,24,26-33,35-37H,8H2,1H3/t9-,15-,17-,18+,20+,21-,22+,24-,26-,27-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeRungia repens Ref.
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