PCIDB

KNApSAcK Metabolite C00050255

Metabolite

KNApSAcK Entry

id C00050255
Name Theonellapeptolide IIIe
CAS RN 206063-37-8
Standard InChI InChI=1S/C71H127N13O16/c1-27-43(14)57-69(96)84(25)60(45(16)29-3)70(97)80(21)47(18)62(89)73-46(17)61(88)74-49(34-38(4)5)65(92)82(23)51(36-40(8)9)71(98)100-48(19)58(78-63(90)50(35-39(6)7)81(22)67(94)55(41(10)11)77-54(87)37-99-26)66(93)79(20)33-31-53(86)75-56(42(12)13)68(95)83(24)59(44(15)28-2)64(91)72-32-30-52(85)76-57/h38-51,55-60H,27-37H2,1-26H3,(H,72,91)(H,73,89)(H,74,88)(H,75,86)(H,76,85)(H,77,87)(H,78,90)/t43-,44-,45?,46-,47-,48+,49+,50+,51+,55-,56+,57+,58-,59-,60-/m0/s1
Standard InChI (Main Layer) InChI=1S/C71H127N13O16/c1-27-43(14)57-69(96)84(25)60(45(16)29-3)70(97)80(21)47(18)62(89)73-46(17)61(88)74-49(34-38(4)5)65(92)82(23)51(36-40(8)9)71(98)100-48(19)58(78-63(90)50(35-39(6)7)81(22)67(94)55(41(10)11)77-54(87)37-99-26)66(93)79(20)33-31-53(86)75-56(42(12)13)68(95)83(24)59(44(15)28-2)64(91)72-32-30-52(85)76-57/h38-51,55-60H,27-37H2,1-26H3,(H,72,91)(H,73,89)(H,74,88)(H,75,86)(H,76,85)(H,77,87)(H,78,90)

Cluster

Phytochemical cluster
KCF-S cluster No. 2183

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
Pachastrellidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Lamellomorpha strongylata 1336867 Pachastrellidae Metazoa