PCIDB

KNApSAcK Metabolite C00006899

Metabolite

KNApSAcK Entry

id C00006899
Name Petunidin 3-(6''-p-coumarylglucoside)-5-(6'''-malonylglucoside)
CAS RN 163857-14-5
Standard InChI InChI=1S/C40H40O22/c1-55-24-9-17(8-21(43)31(24)48)38-25(60-40-37(54)35(52)32(49)26(62-40)14-56-29(46)7-4-16-2-5-18(41)6-3-16)12-20-22(58-38)10-19(42)11-23(20)59-39-36(53)34(51)33(50)27(61-39)15-57-30(47)13-28(44)45/h2-12,26-27,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,48)/p+1/t26?,27?,32-,33-,34+,35?,36?,37?,39-,40-/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H40O22/c1-55-24-9-17(8-21(43)31(24)48)38-25(60-40-37(54)35(52)32(49)26(62-40)14-56-29(46)7-4-16-2-5-18(41)6-3-16)12-20-22(58-38)10-19(42)11-23(20)59-39-36(53)34(51)33(50)27(61-39)15-57-30(47)13-28(44)45/h2-12,26-27,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,48)

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