PCIDB

KNApSAcK Metabolite C00006773

Metabolite

KNApSAcK Entry

id C00006773
Name Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside)
CAS RN 167774-89-2
Standard InChI InChI=1S/C39H38O20/c40-15-26-37(59-30(47)14-28(44)45)33(50)35(52)39(57-26)55-24-12-21(43)11-23-22(24)13-25(36(54-23)18-4-8-20(42)9-5-18)56-38-34(51)32(49)31(48)27(58-38)16-53-29(46)10-3-17-1-6-19(41)7-2-17/h1-13,26-27,31-35,37-40,48-52H,14-16H2,(H3-,41,42,43,44,45,46)/p+1/t26?,27?,31-,32?,33-,34?,35?,37-,38-,39-/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H38O20/c40-15-26-37(59-30(47)14-28(44)45)33(50)35(52)39(57-26)55-24-12-21(43)11-23-22(24)13-25(36(54-23)18-4-8-20(42)9-5-18)56-38-34(51)32(49)31(48)27(58-38)16-53-29(46)10-3-17-1-6-19(41)7-2-17/h1-13,26-27,31-35,37-40,48-52H,14-16H2,(H3-,41,42,43,44,45,46)

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
Liliopsida 1

Family

family name count
Hyacinthaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hyacinthus orientalis 82025 Hyacinthaceae Liliopsida Viridiplantae