PCIDB

KNApSAcK Metabolite C00017529

Metabolite

KNApSAcK Entry

id C00017529
Name UK 69753
CAS RN 118117-42-3
Standard InChI InChI=1S/C58H86N2O18/c1-14-16-20-28-41-57(8,9)42(76-55-48(67)51(72-12)50(37(7)75-55)77-56-52(73-13)47(66)46(65)36(6)74-56)32-58(70,78-41)38(15-2)53(68)59-30-24-23-26-34(4)49(71-11)35(5)45(64)40(62)27-22-19-17-18-21-25-33(3)44(63)43-39(61)29-31-60(10)54(43)69/h14,16-29,31,35-38,40-42,45-52,55-56,61-62,64-67,70H,15,30,32H2,1-13H3,(H,59,68)/b16-14-,19-17+,21-18+,24-23+,27-22+,28-20+,33-25+,34-26+/t35-,36?,37?,38+,40-,41-,42-,45?,46-,47+,48?,49+,50+,51+,52?,55-,56-,58-/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H86N2O18/c1-14-16-20-28-41-57(8,9)42(76-55-48(67)51(72-12)50(37(7)75-55)77-56-52(73-13)47(66)46(65)36(6)74-56)32-58(70,78-41)38(15-2)53(68)59-30-24-23-26-34(4)49(71-11)35(5)45(64)40(62)27-22-19-17-18-21-25-33(3)44(63)43-39(61)29-31-60(10)54(43)69/h14,16-29,31,35-38,40-42,45-52,55-56,61-62,64-67,70H,15,30,32H2,1-13H3,(H,59,68)

Cluster

Phytochemical cluster
KCF-S cluster No. 4435

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
Pseudonocardiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Amycolatopsis orientalis ATCC 53550 1813 Pseudonocardiaceae Bacteria