PCIDB

KNApSAcK Metabolite C00029136

Metabolite

KNApSAcK Entry

id C00029136
Name Tolytoxin 23-acetate
CAS RN 206052-52-0
Standard InChI InChI=1S/C48H77NO14/c1-29-17-20-44(54)63-47(34(6)46(61-35(7)51)30(2)18-19-38(52)32(4)45(59-13)31(3)21-22-49(8)28-50)33(5)40(55-9)26-43(58-12)48(27-60-48)42(57-11)25-37-16-14-15-36(62-37)24-41(56-10)39(53)23-29/h14-15,17,20-23,28,30-34,36-37,39-43,45-47,53H,16,18-19,24-27H2,1-13H3/b20-17+,22-21+,29-23-/t30-,31?,32?,33-,34-,36-,37-,39-,40+,41+,42-,43-,45?,46-,47-,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H77NO14/c1-29-17-20-44(54)63-47(34(6)46(61-35(7)51)30(2)18-19-38(52)32(4)45(59-13)31(3)21-22-49(8)28-50)33(5)40(55-9)26-43(58-12)48(27-60-48)42(57-11)25-37-16-14-15-36(62-37)24-41(56-10)39(53)23-29/h14-15,17,20-23,28,30-34,36-37,39-43,45-47,53H,16,18-19,24-27H2,1-13H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5732

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Aglajidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Philinopsis speciosa 1226721 Aglajidae Metazoa