input word = C00005464

Metabolite InformationStructural formula
Name Quercetin 3-sophoroside-7-glucoside
2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Quercetin 3-sophoroside-7-glucoside2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Formula C33H40O22
Mw 788.20112297
CAS RN 42903-93-5
C_ID C00005464 ,
InChIKey MSUZWPXKWROYDK-YIRMBCKDNA-N
InChICode InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-10-4-13(39)18-14(5-10)50-28(9-1-2-11(37)12(38)3-9)29(22(18)43)54-33-30(25(46)21(42)17(8-36)53-33)55-32-27(48)24(45)20(41)16(7-35)52-32/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,30+,31-,32+,33+/m1/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)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeSinapis arvensis Ref.
PlantaeFabaceaeLathyrus sylvestris Ref.
PlantaeRanunculaceaeRanunculus biternatus Ref.
PlantaeRanunculaceaeRanunculus moseleyi Ref.
PlantaeRanunculaceaeRanunculus pseudotrullifolius Ref.
PlantaeSolanaceaeDatura innoxia Ref.
PlantaeSolanaceaeNicotiana spp. Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
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