input word = C00013753

Metabolite InformationStructural formula
Name Kaempferol 7-(3G-glucosylgentiobioside)
Kaempferol 7-O-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1-->6)]-glucopyranoside
7-[(O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O21
Mw 772.20620834
CAS RN 557102-62-2
C_ID C00013753 ,
InChIKey UOYDGTLOICLFRN-BMDUVQMUNA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)30(54-32-27(46)24(43)20(39)16(8-35)52-32)28(47)33(53-17)49-12-5-13(37)18-14(6-12)50-29(25(44)22(18)41)10-1-3-11(36)4-2-10/h1-6,15-17,19-21,23-24,26-28,30-40,42-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,26-,27-,28-,30+,31-,32+,33-/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O)c(cc(c2)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)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica juncea Ref.
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