PCIDB

KNApSAcK Metabolite C00013147

Metabolite

KNApSAcK Entry

id C00013147
Name [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol
CAS RN 128397-65-9
Standard InChI InChI=1S/C30H38O12/c1-15-13-21(37-16(2)32)24(39-18(4)34)29(14-31)26(41-27(36)20-11-9-8-10-12-20)23(38-17(3)33)22-25(40-19(5)35)30(15,29)42-28(22,6)7/h8-12,15,21-26,31H,13-14H2,1-7H3
Standard InChI (Main Layer) InChI=1S/C30H38O12/c1-15-13-21(37-16(2)32)24(39-18(4)34)29(14-31)26(41-27(36)20-11-9-8-10-12-20)23(38-17(3)33)22-25(40-19(5)35)30(15,29)42-28(22,6)7/h8-12,15,21-26,31H,13-14H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 173

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
Celastraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Maytenus chubutensis 123430 Celastraceae rosids Viridiplantae