PCIDB

KNApSAcK Metabolite C00006780

Metabolite

KNApSAcK Entry

id C00006780
Name Pelargonidin 3-(6''-p-coumarylsambubioside)-5-(6'''-malonylglucoside)
CAS RN 175738-01-9
Standard InChI InChI=1S/C44H46O24/c45-20-6-1-18(2-7-20)3-10-31(51)60-16-29-35(55)37(57)41(68-42-38(58)33(53)24(48)15-62-42)44(67-29)65-27-13-23-25(63-40(27)19-4-8-21(46)9-5-19)11-22(47)12-26(23)64-43-39(59)36(56)34(54)28(66-43)17-61-32(52)14-30(49)50/h1-13,24,28-29,33-39,41-44,48,53-59H,14-17H2,(H3-,45,46,47,49,50,51)/p+1/t24-,28?,29?,33?,34-,35-,36+,37?,38-,39?,41?,42+,43-,44-/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H46O24/c45-20-6-1-18(2-7-20)3-10-31(51)60-16-29-35(55)37(57)41(68-42-38(58)33(53)24(48)15-62-42)44(67-29)65-27-13-23-25(63-40(27)19-4-8-21(46)9-5-19)11-22(47)12-26(23)64-43-39(59)36(56)34(54)28(66-43)17-61-32(52)14-30(49)50/h1-13,24,28-29,33-39,41-44,48,53-59H,14-17H2,(H3-,45,46,47,49,50,51)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

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
Brassicaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Matthiola incana 3724 Brassicaceae rosids Viridiplantae