input word = C00005472

Metabolite InformationStructural formula
Name Quercetin 3-rutinoside-7-glucoside
Formula C33H40O21
Mw 772.20620834
CAS RN 30311-61-6
C_ID C00005472 ,
InChIKey SPUFXPFDJYNCFD-UOGUVAJPNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16-,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)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
PlantaeCampanulaceae/LobeliaceaeCampanula persicifolia Ref.
PlantaeFabaceaeBaptisia alba Ref.
PlantaeFabaceaeLathyrus aphaca Ref.
PlantaeLiliaceaeTulipa gesneriana Ref.
PlantaeLimnanthaceaeLimnanthes douglasii Ref.
PlantaeOleaceaeOsmanthus americanus Ref.
PlantaePolemoniaceaeLinanthus spp. Ref.
PlantaeSolanaceaeLeucophysalis spp. Ref.
PlantaeSolanaceaeLycium halimifolium Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeOryctes nevadensis Ref.
PlantaeSolanaceaeWithania somnifera Ref.
PlantaeZygophyllaceaeTribulus pentandrus Ref.
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