PCIDB

KNApSAcK Metabolite C00006730

Metabolite

KNApSAcK Entry

id C00006730
Name Petunidin 3-gentiotrioside
CAS RN
Standard InChI InChI=1S/C34H42O22/c1-49-16-3-10(2-14(38)21(16)39)31-17(6-12-13(37)4-11(36)5-15(12)52-31)53-34-30(48)27(45)24(42)20(56-34)9-51-33-29(47)26(44)23(41)19(55-33)8-50-32-28(46)25(43)22(40)18(7-35)54-32/h2-6,18-20,22-30,32-35,40-48H,7-9H2,1H3,(H3-,36,37,38,39)/p+1/t18?,19?,20?,22-,23-,24-,25+,26+,27?,28?,29?,30?,32-,33-,34-/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H42O22/c1-49-16-3-10(2-14(38)21(16)39)31-17(6-12-13(37)4-11(36)5-15(12)52-31)53-34-30(48)27(45)24(42)20(56-34)9-51-33-29(47)26(44)23(41)19(55-33)8-50-32-28(46)25(43)22(40)18(7-35)54-32/h2-6,18-20,22-30,32-35,40-48H,7-9H2,1H3,(H3-,36,37,38,39)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

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
Primulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Primula spp. 49647 Primulaceae asterids Viridiplantae