Metabolite

KNApSAcK Entry

id C00043988
Name Tolaasin E
CAS RN 709014-56-2
Standard InChI InChI=1S/C92H159N21O24/c1-21-25-26-30-55(116)42-68(118)97-57(24-4)91(135)113-38-29-32-66(113)84(128)105-64(44-114)82(126)103-62(40-47(7)8)80(124)108-71(50(13)14)88(132)106-65(45-115)83(127)104-63(41-48(9)10)81(125)109-73(52(17)18)89(133)110-72(51(15)16)87(131)100-58(33-34-67(95)117)77(121)102-61(39-46(5)6)79(123)107-70(49(11)12)86(130)99-56(23-3)76(120)112-75-54(20)137-92(136)60(31-27-28-36-93)101-78(122)59(35-37-94)98-69(119)43-96-85(129)74(53(19)22-2)111-90(75)134/h23-24,46-55,58-66,70-75,114-116H,21-22,25-45,93-94H2,1-20H3,(H2,95,117)(H,96,129)(H,97,118)(H,98,119)(H,99,130)(H,100,131)(H,101,122)(H,102,121)(H,103,126)(H,104,127)(H,105,128)(H,106,132)(H,107,123)(H,108,124)(H,109,125)(H,110,133)(H,111,134)(H,112,120)/b56-23-,57-24-/t53-,54+,55?,58?,59?,60?,61?,62?,63?,64?,65?,66?,70?,71?,72?,73?,74-,75-/m1/s1
Standard InChI (Main Layer) InChI=1S/C92H159N21O24/c1-21-25-26-30-55(116)42-68(118)97-57(24-4)91(135)113-38-29-32-66(113)84(128)105-64(44-114)82(126)103-62(40-47(7)8)80(124)108-71(50(13)14)88(132)106-65(45-115)83(127)104-63(41-48(9)10)81(125)109-73(52(17)18)89(133)110-72(51(15)16)87(131)100-58(33-34-67(95)117)77(121)102-61(39-46(5)6)79(123)107-70(49(11)12)86(130)99-56(23-3)76(120)112-75-54(20)137-92(136)60(31-27-28-36-93)101-78(122)59(35-37-94)98-69(119)43-96-85(129)74(53(19)22-2)111-90(75)134/h23-24,46-55,58-66,70-75,114-116H,21-22,25-45,93-94H2,1-20H3,(H2,95,117)(H,96,129)(H,97,118)(H,98,119)(H,99,130)(H,100,131)(H,101,122)(H,102,121)(H,103,126)(H,104,127)(H,105,128)(H,106,132)(H,107,123)(H,108,124)(H,109,125)(H,110,133)(H,111,134)(H,112,120)

Cluster

Phytochemical cluster
KCF-S cluster No. 2143

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL447066

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Pseudomonadaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pseudomonas tolaasii 29442 Pseudomonadaceae Bacteria