PCIDB

KNApSAcK Metabolite C00035067

Metabolite

KNApSAcK Entry

id C00035067
Name Caryocaroside III-22
CAS RN 914257-93-5
Standard InChI InChI=1S/C48H76O20/c1-20-27(52)29(54)30(55)39(63-20)65-34-28(53)24(18-49)64-40(32(34)57)66-35-31(56)36(38(59)60)67-41(33(35)58)68-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,42(61)62)15-13-46(21,47)6/h8,20,22-37,39-41,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/t20-,22-,23-,24+,25+,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,39-,40-,41-,44-,45-,46+,47+,48+/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H76O20/c1-20-27(52)29(54)30(55)39(63-20)65-34-28(53)24(18-49)64-40(32(34)57)66-35-31(56)36(38(59)60)67-41(33(35)58)68-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,42(61)62)15-13-46(21,47)6/h8,20,22-37,39-41,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

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
Caryocaraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Caryocar villosum 507520 Caryocaraceae rosids Viridiplantae