input word = C00005462

Metabolite InformationStructural formula
Name Quercetin 3-sambubioside-7-glucoside
Formula C32H38O21
Mw 758.19055828
CAS RN 162556-33-4
C_ID C00005462 ,
InChIKey KCEXPTPKOFCLLQ-CJYVHHFNNA-N
InChICode InChI=1S/C32H38O21/c33-6-16-20(40)23(43)26(46)31(50-16)48-10-4-13(37)18-15(5-10)49-27(9-1-2-11(35)12(36)3-9)28(22(18)42)52-32-29(24(44)21(41)17(7-34)51-32)53-30-25(45)19(39)14(38)8-47-30/h1-5,14,16-17,19-21,23-26,29-41,43-46H,6-8H2/t14-,16-,17+,19-,20-,21-,23+,24-,25-,26-,29+,30-,31-,32?/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus biternatus Ref.
PlantaeRanunculaceaeRanunculus moseleyi Ref.
PlantaeRanunculaceaeRanunculus pseudotrullifolius Ref.
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