input word = C00005204

Metabolite InformationStructural formula
Name Kaempferol 3-(2Gal-apiosylrobinobioside)
Formula C32H38O19
Mw 726.20072904
CAS RN 132185-73-0
C_ID C00005204 ,
InChIKey PXDYLXHBUIPSMK-BAFVSWATNA-N
InChICode InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3/t11-,17+,19-,20+,22-,23-,24+,27-,28+,29+,30-,31-,32+/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[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@H]([C@@](CO1)(O)CO)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium quinoa Ref.
PlantaePolygalaceaeMonnina sylvatica Ref.
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