PCIDB

KNApSAcK Metabolite C00026814

Metabolite

KNApSAcK Entry

id C00026814
Name Thomitrem E
CAS RN 502759-47-9
Standard InChI InChI=1S/C37H45NO6/c1-17(2)29-28(39)31-37(44-31)25(43-29)11-12-33(6)34(7)20(10-13-35(33,37)41)15-21-26-23(38-30(21)34)9-8-19-14-18(3)22-16-24(32(4,5)40)36(22,42)27(19)26/h8-9,15,22,24-25,28-29,31,38-42H,1,3,10-14,16H2,2,4-7H3/t22-,24-,25+,28+,29-,31-,33-,34-,35+,36-,37+/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H45NO6/c1-17(2)29-28(39)31-37(44-31)25(43-29)11-12-33(6)34(7)20(10-13-35(33,37)41)15-21-26-23(38-30(21)34)9-8-19-14-18(3)22-16-24(32(4,5)40)36(22,42)27(19)26/h8-9,15,22,24-25,28-29,31,38-42H,1,3,10-14,16H2,2,4-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 766

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
Aspergillaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Penicillium crustosum Thom 5073 Aspergillaceae Fungi