PCIDB

KNApSAcK Metabolite C00016361

Metabolite

KNApSAcK Entry

id C00016361
Name Thiocoraline
CAS RN 173046-02-1
Standard InChI InChI=1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)/t29-,30?,31+,32+,33+,34+/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)

Cluster

Phytochemical cluster
KCF-S cluster No. 5086

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL229379

KEGG

By LinkDB C15727

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Micromonosporaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Micromonospora marina 307120 Micromonosporaceae Bacteria
Micromonospora sp. L-13-ACM2-092 1873 Micromonosporaceae Bacteria