PCIDB

KNApSAcK Metabolite C00016407

Metabolite

KNApSAcK Entry

id C00016407
Name MS 681a
CAS RN 173485-72-8
Standard InChI InChI=1S/C61H91N13O9/c1-11-60(9,72-51(77)40(3)67-54(80)58(5,6)74-55(81)59(7,8)71-52(78)48(68-41(4)75)35-43-26-17-14-18-27-43)56(82)66-39-50(76)70-49(36-44-37-65-47-29-20-19-28-46(44)47)53(79)73-61(10,12-2)57(83)69-45(34-42-24-15-13-16-25-42)38-64-33-23-32-63-31-22-21-30-62/h13-20,24-29,37,40,45,48-49,63-65H,11-12,21-23,30-36,38-39,62H2,1-10H3,(H,66,82)(H,67,80)(H,68,75)(H,69,83)(H,70,76)(H,71,78)(H,72,77)(H,73,79)(H,74,81)
Standard InChI (Main Layer) InChI=1S/C61H91N13O9/c1-11-60(9,72-51(77)40(3)67-54(80)58(5,6)74-55(81)59(7,8)71-52(78)48(68-41(4)75)35-43-26-17-14-18-27-43)56(82)66-39-50(76)70-49(36-44-37-65-47-29-20-19-28-46(44)47)53(79)73-61(10,12-2)57(83)69-45(34-42-24-15-13-16-25-42)38-64-33-23-32-63-31-22-21-30-62/h13-20,24-29,37,40,45,48-49,63-65H,11-12,21-23,30-36,38-39,62H2,1-10H3,(H,66,82)(H,67,80)(H,68,75)(H,69,83)(H,70,76)(H,71,78)(H,72,77)(H,73,79)(H,74,81)

Cluster

Phytochemical cluster
KCF-S cluster No. 2832

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

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Myrothecium sp. KY6568 5531 Fungi