PCIDB

KNApSAcK Metabolite C00013628

Metabolite

KNApSAcK Entry

id C00013628
Name Acacetin 7-rhamnosyl-(1->2)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside / 7-([O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS RN 183964-93-4
Standard InChI InChI=1S/C40H52O24/c1-13-25(46)29(50)33(54)37(56-13)62-35-31(52)27(48)22(11-42)60-39(35)64-36-32(53)28(49)23(12-43)61-40(36)63-34-30(51)26(47)21(10-41)59-38(34)57-16-7-17(44)24-18(45)9-19(58-20(24)8-16)14-3-5-15(55-2)6-4-14/h3-9,13,21-23,25-44,46-54H,10-12H2,1-2H3/t13?,21?,22?,23?,25-,26+,27+,28+,29?,30-,31-,32-,33-,34?,35?,36?,37-,38+,39-,40-/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H52O24/c1-13-25(46)29(50)33(54)37(56-13)62-35-31(52)27(48)22(11-42)60-39(35)64-36-32(53)28(49)23(12-43)61-40(36)63-34-30(51)26(47)21(10-41)59-38(34)57-16-7-17(44)24-18(45)9-19(58-20(24)8-16)14-3-5-15(55-2)6-4-14/h3-9,13,21-23,25-44,46-54H,10-12H2,1-2H3

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
rosids 1

Family

family name count
Nitrariaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Peganum harmala 43879 Nitrariaceae rosids Viridiplantae