PCIDB

KNApSAcK Metabolite C00013132

Metabolite

KNApSAcK Entry

id C00013132
Name 8alpha-Benzoyloxyacetylpringleine / [3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,9,10-hexol 6,10-diacetate 4,5,7-tribenzoate
CAS RN 11950-73-3
Standard InChI InChI=1S/C42H44O14/c1-24(43)50-23-41-33(51-25(2)44)30(53-36(46)27-16-10-7-11-17-27)22-40(6,49)42(41)34(52-26(3)45)31(39(4,5)56-42)32(54-37(47)28-18-12-8-13-19-28)35(41)55-38(48)29-20-14-9-15-21-29/h7-21,30-35,49H,22-23H2,1-6H3
Standard InChI (Main Layer) InChI=1S/C42H44O14/c1-24(43)50-23-41-33(51-25(2)44)30(53-36(46)27-16-10-7-11-17-27)22-40(6,49)42(41)34(52-26(3)45)31(39(4,5)56-42)32(54-37(47)28-18-12-8-13-19-28)35(41)55-38(48)29-20-14-9-15-21-29/h7-21,30-35,49H,22-23H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 168

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
Celastrus pringlei 1172585 Celastraceae rosids Viridiplantae