PCIDB

KNApSAcK Metabolite C00006892

Metabolite

KNApSAcK Entry

id C00006892
Name Delphinidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside)
CAS RN 176260-02-9
Standard InChI InChI=1S/C54H54O29/c55-25-7-1-22(2-8-25)5-11-38(62)74-19-34-42(66)46(70)49(73)53(81-34)83-51-47(71)44(68)36(20-75-39(63)12-6-23-3-9-26(56)10-4-23)82-54(51)79-33-17-28-31(77-50(33)24-13-29(58)41(65)30(59)14-24)15-27(57)16-32(28)78-52-48(72)45(69)43(67)35(80-52)21-76-40(64)18-37(60)61/h1-17,34-36,42-49,51-54,66-73H,18-21H2,(H6-,55,56,57,58,59,60,61,62,63,65)/p+1/t34?,35?,36?,42-,43-,44-,45+,46?,47?,48?,49-,51?,52-,53+,54-/m1/s1
Standard InChI (Main Layer) InChI=1S/C54H54O29/c55-25-7-1-22(2-8-25)5-11-38(62)74-19-34-42(66)46(70)49(73)53(81-34)83-51-47(71)44(68)36(20-75-39(63)12-6-23-3-9-26(56)10-4-23)82-54(51)79-33-17-28-31(77-50(33)24-13-29(58)41(65)30(59)14-24)15-27(57)16-32(28)78-52-48(72)45(69)43(67)35(80-52)21-76-40(64)18-37(60)61/h1-17,34-36,42-49,51-54,66-73H,18-21H2,(H6-,55,56,57,58,59,60,61,62,63,65)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 62

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
Ajuga reptans 38596 Lamiaceae asterids Viridiplantae