PCIDB

KNApSAcK Metabolite C00016078

Metabolite

KNApSAcK Entry

id C00016078
Name Echinocandin B
CAS RN 54651-05-7
Standard InChI InChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)
Standard InChI (Main Layer) InChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)

Cluster

Phytochemical cluster
KCF-S cluster No. 1256

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1985264

KEGG

By LinkDB

CTD

By CAS RN C007572

Species

Summary

Plant class

class name count

Family

family name count
Aspergillaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aspergillus nidulans 162425 Aspergillaceae Fungi