input word = C00005428

Metabolite InformationStructural formula
Name Quercetin 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
Quercetin 3-O-glucoside-7-O-rhamnoside
Quercetin 3-glucoside-7-rhamnoside
Formula C27H30O16
Mw 610.15338491
CAS RN 18016-58-5
C_ID C00005428 ,
InChIKey OTUCXMIQUNROBJ-FVQHZYONNA-N
InChICode InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22+,23+,26-,27-/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)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaePorcelia macrocarpa Ref.
PlantaeApocynaceaeVincetoxicum officinale Ref.
PlantaeAspleniaceaeAsplenium trichomanes-ramosum Ref.
PlantaeAsteraceaeLiatris spicata Ref.
PlantaeCelastraceaeCelastrus orbiculatus Ref.
PlantaeCrassulaceaeKalanchoe spathulata Ref.
PlantaeCrassulaceaeSinocrassula indica Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeErysimum perofskianum Ref.
PlantaeCucurbitaceaeMarah oreganus Ref.
PlantaeEquisetaceaeEquisetum silvaticum Ref.
PlantaeFabaceaeCoronilla emerus Ref.
PlantaeFabaceaeLathyrus chrysanthus Ref.
PlantaeFabaceaeMacroptilium lathyroides Ref.
PlantaeFabaceaeVicia spp. Ref.
PlantaeMalvaceaeTilia argentea Ref.
PlantaePhytolaccaceaePhytolacca dodecandra Ref.
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