PCIDB

KNApSAcK Metabolite C00005466

Metabolite

KNApSAcK Entry

id C00005466
Name Quercetin 3-sophoroside-7-glucuronide
CAS RN 140163-57-1
Standard InChI InChI=1S/C33H38O23/c34-6-14-17(39)20(42)24(46)32(52-14)56-29-22(44)18(40)15(7-35)53-33(29)54-27-19(41)16-12(38)4-9(50-31-25(47)21(43)23(45)28(55-31)30(48)49)5-13(16)51-26(27)8-1-2-10(36)11(37)3-8/h1-5,14-15,17-18,20-25,28-29,31-40,42-47H,6-7H2,(H,48,49)/t14?,15?,17-,18-,20?,21+,22?,23+,24-,25?,28?,29?,31-,32+,33+/m1/s1
Standard InChI (Main Layer) InChI=1S/C33H38O23/c34-6-14-17(39)20(42)24(46)32(52-14)56-29-22(44)18(40)15(7-35)53-33(29)54-27-19(41)16-12(38)4-9(50-31-25(47)21(43)23(45)28(55-31)30(48)49)5-13(16)51-26(27)8-1-2-10(36)11(37)3-8/h1-5,14-15,17-18,20-25,28-29,31-40,42-47H,6-7H2,(H,48,49)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Amaryllidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Allium cepa 4679 Amaryllidaceae Liliopsida Viridiplantae