input word = C00005461

Metabolite InformationStructural formula
Name Quercetin 3-robinobioside-7-rhamnoside
Clovin
Formula C33H40O20
Mw 756.21129372
CAS RN 81970-00-5
C_ID C00005461 ,
InChIKey BFCXCFJUDBNEMU-JWCMBIDJNA-N
InChICode InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10+,17-,19+,20+,21+,23+,24+,25+,26-,27-,28-,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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)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
PlantaeApocynaceaeVinca minor Ref.
PlantaeFabaceaeDolichopsis paraguariensis Ref.
PlantaeFabaceaeMacroptilium spp. Ref.
PlantaeFabaceaeMelilotus alba Ref.
PlantaeFabaceaeMelilotus officinalis Ref.
PlantaeFabaceaePhaseolus spp. Ref.
PlantaeFabaceaeVigna spp. Ref.
PlantaeGentianaceaeCoutoubea spicata Ref.
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