PCIDB

KNApSAcK Metabolite C00014864

Metabolite

KNApSAcK Entry

id C00014864
Name Rosacyanin B / 11-(3,4-Dihydroxyphenyl)-4,5,8-trihydroxy-2-oxo-2H-1,6-dioxa-10-oxoniabenzo[cd]pyrene
CAS RN 350484-25-2
Standard InChI InChI=1S/C22H10O9/c23-8-4-13-16-14(5-8)30-20-15-9(6-12(26)18(20)27)22(28)31-21(17(15)16)19(29-13)7-1-2-10(24)11(25)3-7/h1-6H,(H4-,23,24,25,26,27,28)/p+1
Standard InChI (Main Layer) InChI=1S/C22H10O9/c23-8-4-13-16-14(5-8)30-20-15-9(6-12(26)18(20)27)22(28)31-21(17(15)16)19(29-13)7-1-2-10(24)11(25)3-7/h1-6H,(H4-,23,24,25,26,27,28)

Cluster

Phytochemical cluster
KCF-S cluster No. 3887

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
Rosaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rosa hybrida 128735 Rosaceae rosids Viridiplantae