input word = C00005955

Metabolite InformationStructural formula
Name Quercetin 3-(6''-acetylglucoside)
Quercetin 3-O-2G-rhamnosylrutinoside
Formula C23H22O13
Mw 506.10604079
CAS RN 54542-51-7
C_ID C00005955 ,
InChIKey IGLUNMMNDNWZOA-BBUAEBONNA-N
InChICode InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica spp. Ref.
PlantaeAsteraceaeHelenium hoopesii Ref.
PlantaeAsteraceaePlummera floribunda Ref.
PlantaeConvolvulaceaeIpomoea biloba Ref.
PlantaeMyrsinaceaeCyclamen persicum cv. Bonfire Ref.
PlantaeMyrsinaceaeCyclamen persicum cv. Sierra Rose Ref.
PlantaePinaceaePicea abies Ref.
PlantaePinaceaePinus sylvestris Ref.
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