input word = C00005412

Metabolite InformationStructural formula
Name Quercetin 3-O-neohesperidoside
Quercetin 3-neohesperidoside
Formula C27H30O16
Mw 610.15338491
CAS RN 32453-36-4
C_ID C00005412 ,
InChIKey FYBMGZSDYDNBFX-GRKNXZRPNA-N
InChICode InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15-,17+,18-,20+,21+,22+,25-,26+,27+/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]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeCostaceaeCostus spicatus Ref.
PlantaeCruciferaeNerisyrenia gracilis Ref.
PlantaeCruciferaeNerisyrenia linearifolia Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeDerris trifoliata Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeMyrsinaceaeLysimachia nummularia Ref.
PlantaePoaceaeZea mays Ref.
PlantaeRosaceaePrunus mume Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeTyphaceaeTypha latifolia Ref.
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