PCIDB

KNApSAcK Metabolite C00013919

Metabolite

KNApSAcK Entry

id C00013919
Name Quercetin 3'-methyl ether / 3-(2G-rhamnosylrutinoside)-7-rhamnoside / Isorhamnetin 3-(2G-rhamnosylrutinoside)-7-rhamnoside / 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS RN 154171-32-1
Standard InChI InChI=1S/C40H52O24/c1-11-22(43)27(48)31(52)37(57-11)56-10-20-25(46)30(51)36(64-39-33(54)29(50)24(45)13(3)59-39)40(62-20)63-35-26(47)21-17(42)8-15(60-38-32(53)28(49)23(44)12(2)58-38)9-19(21)61-34(35)14-5-6-16(41)18(7-14)55-4/h5-9,11-13,20,22-25,27-33,36-46,48-54H,10H2,1-4H3/t11?,12?,13?,20?,22-,23-,24-,25+,27?,28?,29?,30-,31-,32-,33-,36?,37+,38-,39-,40-/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H52O24/c1-11-22(43)27(48)31(52)37(57-11)56-10-20-25(46)30(51)36(64-39-33(54)29(50)24(45)13(3)59-39)40(62-20)63-35-26(47)21-17(42)8-15(60-38-32(53)28(49)23(44)12(2)58-38)9-19(21)61-34(35)14-5-6-16(41)18(7-14)55-4/h5-9,11-13,20,22-25,27-33,36-46,48-54H,10H2,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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