PCIDB

KNApSAcK Metabolite C00011239

Metabolite

KNApSAcK Entry

id C00011239
Name beta,beta-Ergoannam
CAS RN 97387-95-6
Standard InChI InChI=1S/C33H43N5O4/c1-6-18(3)28(32(41)38-29(19(4)7-2)33(42)37-13-9-12-25(37)31(38)40)35-30(39)21-14-23-22-10-8-11-24-27(22)20(16-34-24)15-26(23)36(5)17-21/h8,10-11,14,16,18-19,21,25-26,28-29,34H,6-7,9,12-13,15,17H2,1-5H3,(H,35,39)/t18?,19?,21-,25-,26-,28+,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C33H43N5O4/c1-6-18(3)28(32(41)38-29(19(4)7-2)33(42)37-13-9-12-25(37)31(38)40)35-30(39)21-14-23-22-10-8-11-24-27(22)20(16-34-24)15-26(23)36(5)17-21/h8,10-11,14,16,18-19,21,25-26,28-29,34H,6-7,9,12-13,15,17H2,1-5H3,(H,35,39)

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 271

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
Clavicipitaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Claviceps purpurea 5111 Clavicipitaceae Fungi