PCIDB

KNApSAcK Metabolite C00011070

Metabolite

KNApSAcK Entry

id C00011070
Name Petunidin 3-sambubioside / Petunidin 3-(2-xylosylglucoside) / Petunidin 3-O-beta-D-sambubioside
CAS RN 260256-24-4
Standard InChI InChI=1S/C27H30O16/c1-38-16-3-9(2-13(31)19(16)33)24-17(6-11-12(30)4-10(29)5-15(11)40-24)41-27-25(22(36)21(35)18(7-28)42-27)43-26-23(37)20(34)14(32)8-39-26/h2-6,14,18,20-23,25-28,32,34-37H,7-8H2,1H3,(H3-,29,30,31,33)/p+1/t14-,18?,20+,21-,22+,23?,25?,26+,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H30O16/c1-38-16-3-9(2-13(31)19(16)33)24-17(6-11-12(30)4-10(29)5-15(11)40-24)41-27-25(22(36)21(35)18(7-28)42-27)43-26-23(37)20(34)14(32)8-39-26/h2-6,14,18,20-23,25-28,32,34-37H,7-8H2,1H3,(H3-,29,30,31,33)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

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
asterids 1

Family

family name count
Elaeocarpaceae 1
Ericaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Elaeocarpus mastersii 26005 Elaeocarpaceae rosids Viridiplantae
Vaccinium padifolium 180765 Ericaceae asterids Viridiplantae