PCIDB

KNApSAcK Metabolite C00014817

Metabolite

KNApSAcK Entry

id C00014817
Name Delphinidin 3-(diferuloyl)sophoroside-5-glucoside
CAS RN 379232-06-1
Standard InChI InChI=1S/C53H56O28/c1-71-32-11-21(3-7-26(32)56)5-9-38(60)73-19-36-42(64)45(67)48(70)52(79-36)81-50-46(68)43(65)37(20-74-39(61)10-6-22-4-8-27(57)33(12-22)72-2)80-53(50)77-34-17-25-30(75-49(34)23-13-28(58)40(62)29(59)14-23)15-24(55)16-31(25)76-51-47(69)44(66)41(63)35(18-54)78-51/h3-17,35-37,41-48,50-54,63-70H,18-20H2,1-2H3,(H5-,55,56,57,58,59,60,61,62)/p+1/t35?,36?,37?,41-,42-,43-,44+,45+,46+,47?,48?,50?,51-,52+,53-/m1/s1
Standard InChI (Main Layer) InChI=1S/C53H56O28/c1-71-32-11-21(3-7-26(32)56)5-9-38(60)73-19-36-42(64)45(67)48(70)52(79-36)81-50-46(68)43(65)37(20-74-39(61)10-6-22-4-8-27(57)33(12-22)72-2)80-53(50)77-34-17-25-30(75-49(34)23-13-28(58)40(62)29(59)14-23)15-24(55)16-31(25)76-51-47(69)44(66)41(63)35(18-54)78-51/h3-17,35-37,41-48,50-54,63-70H,18-20H2,1-2H3,(H5-,55,56,57,58,59,60,61,62)

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