PCIDB

KNApSAcK Metabolite C00004214

Metabolite

KNApSAcK Entry

id C00004214
Name Di-6''-(acacetin-7-glucosyl)malonate
CAS RN 78897-46-8
Standard InChI InChI=1S/C47H44O22/c1-60-22-7-3-20(4-8-22)30-15-28(50)38-26(48)11-24(13-32(38)66-30)64-46-44(58)42(56)40(54)34(68-46)18-62-36(52)17-37(53)63-19-35-41(55)43(57)45(59)47(69-35)65-25-12-27(49)39-29(51)16-31(67-33(39)14-25)21-5-9-23(61-2)10-6-21/h3-16,34-35,40-49,54-59H,17-19H2,1-2H3/t34-,35?,40+,41+,42?,43-,44?,45?,46+,47+/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H44O22/c1-60-22-7-3-20(4-8-22)30-15-28(50)38-26(48)11-24(13-32(38)66-30)64-46-44(58)42(56)40(54)34(68-46)18-62-36(52)17-37(53)63-19-35-41(55)43(57)45(59)47(69-35)65-25-12-27(49)39-29(51)16-31(67-33(39)14-25)21-5-9-23(61-2)10-6-21/h3-16,34-35,40-49,54-59H,17-19H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2445

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Agastache rugosa 39271 Lamiaceae asterids Viridiplantae