PCIDB

KNApSAcK Metabolite C00043718

Metabolite

KNApSAcK Entry

id C00043718
Name Methyl tortuoate A / (+)-Methyl tortuoate A
CAS RN 805230-75-5
Standard InChI InChI=1S/C41H62O8/c1-23(2)29-20-32(42)26(5)12-10-11-24(3)18-33(43)30-19-28(7)38-31(41(30,22-34(29)44)39(46)48-9)17-25(4)13-15-36-27(6)14-16-37(49-36)40(8,47)21-35(38)45/h14,17,23-24,26,29-31,35-37,45,47H,10-13,15-16,18-22H2,1-9H3/b25-17-/t24-,26+,29-,30+,31-,35+,36?,37+,40+,41+/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H62O8/c1-23(2)29-20-32(42)26(5)12-10-11-24(3)18-33(43)30-19-28(7)38-31(41(30,22-34(29)44)39(46)48-9)17-25(4)13-15-36-27(6)14-16-37(49-36)40(8,47)21-35(38)45/h14,17,23-24,26,29-31,35-37,45,47H,10-13,15-16,18-22H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 277

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL500822

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Alcyoniidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Sarcophyton tortuosum 358808 Alcyoniidae Metazoa