PCIDB

KNApSAcK Metabolite C00047682

Metabolite

KNApSAcK Entry

id C00047682
Name 6',7'-Dihydroxybergamottin octanal acetal
CAS RN 1181223-79-9
Standard InChI InChI=1S/C29H40O6/c1-5-6-7-8-9-10-27-34-25(29(3,4)35-27)13-11-20(2)15-17-32-28-21-12-14-26(30)33-24(21)19-23-22(28)16-18-31-23/h12,14-15,19,25,27H,5-11,13,16-18H2,1-4H3/b20-15+
Standard InChI (Main Layer) InChI=1S/C29H40O6/c1-5-6-7-8-9-10-27-34-25(29(3,4)35-27)13-11-20(2)15-17-32-28-21-12-14-26(30)33-24(21)19-23-22(28)16-18-31-23/h12,14-15,19,25,27H,5-11,13,16-18H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 8253

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
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Citrus paradisi 37656 Rutaceae rosids Viridiplantae