input word = C00005409

Metabolite InformationStructural formula
Name Quercetin 3-O-sophoroside
Quercetin-3-O-sophoroside
Formula C27H30O17
Mw 626.14829954
CAS RN 18609-17-1
C_ID C00005409 ,
InChIKey RDUAJIJVNHKTQC-DMXBVYPFNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15+,17-,18-,20+,21-,22-,25-,26+,27+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeAlnus cordata Ref.
PlantaeCanellaceaeWarburgia stuhlmannii Ref.
PlantaeChenopodiaceaeChenopodium fremontii Ref.
PlantaeCistaceaeCistus ladaniferus Ref.
PlantaeCruciferaeBrassica oleracea var. acephala Ref.
PlantaeCruciferaeBrassica oleracea var. botrytis italica Ref.
PlantaeCruciferaeBrassica oleracea var. capitata f. alba Ref.
PlantaeEquisetaceaeEquisetum arvense Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMacroptilium spp. Ref.
PlantaeFabaceaePhaseolus spp. Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaeVigna radiata Ref.
PlantaeOleaceaeSyringa sweginzowii Ref.
PlantaeOrchidaceaeBrassia muricata Ref.
PlantaePolygalaceaeSecuridaca diversifolia Ref.
PlantaeRosaceaeEriobotrya japonica Ref.
PlantaeSolanaceaeNicotiana spp. Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
PlantaeSolanaceaeSolanum spp. Ref.
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