input word = C00057518

Metabolite InformationStructural formula
Name Quercetin 3-sophorotrioside 7-rhamnoside
Formula C39H50O26
Mw 934.25903177
CAS RN 72089-32-8
C_ID C00057518
InChIKey KVPHQBGTGFAPTB-UHFFFAOYSA-N
InChICode InChI=1S/C39H50O26/c1-10-21(46)26(51)30(55)36(57-10)58-12-5-15(45)20-16(6-12)59-32(11-2-3-13(43)14(44)4-11)33(25(20)50)63-38-35(29(54)24(49)18(8-41)61-38)65-39-34(28(53)23(48)19(9-42)62-39)64-37-31(56)27(52)22(47)17(7-40)60-37/h2-6,10,17-19,21-24,26-31,34-49,51-56H,7-9H2,1H3
SMILES OC1=C(O)C=CC(C2=C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(C6=C(O)C=C(OC7C(O)C(O)C(O)C(C)O7)C=C6O2)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum spp. Ref.
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