PCIDB

KNApSAcK Metabolite C00046092

Metabolite

KNApSAcK Entry

id C00046092
Name Longibrachin LGB II
CAS RN 161726-96-1
Standard InChI InChI=1S/C85H140N20O23/c1-43(2)39-54(92-57(109)41-87-70(121)78(11,12)102-69(120)60(45(5)6)96-75(126)82(19,20)100-63(114)48(9)90-73(124)81(17,18)99-62(113)47(8)89-72(123)80(15,16)98-61(112)46(7)88-71(122)79(13,14)97-49(10)107)66(117)101-85(25,26)77(128)105-38-30-33-55(105)67(118)95-59(44(3)4)68(119)103-84(23,24)76(127)104-83(21,22)74(125)94-53(35-37-58(110)111)65(116)93-52(34-36-56(86)108)64(115)91-51(42-106)40-50-31-28-27-29-32-50/h27-29,31-32,43-48,51-55,59-60,106H,30,33-42H2,1-26H3,(H2,86,108)(H,87,121)(H,88,122)(H,89,123)(H,90,124)(H,91,115)(H,92,109)(H,93,116)(H,94,125)(H,95,118)(H,96,126)(H,97,107)(H,98,112)(H,99,113)(H,100,114)(H,101,117)(H,102,120)(H,103,119)(H,104,127)(H,110,111)
Standard InChI (Main Layer) InChI=1S/C85H140N20O23/c1-43(2)39-54(92-57(109)41-87-70(121)78(11,12)102-69(120)60(45(5)6)96-75(126)82(19,20)100-63(114)48(9)90-73(124)81(17,18)99-62(113)47(8)89-72(123)80(15,16)98-61(112)46(7)88-71(122)79(13,14)97-49(10)107)66(117)101-85(25,26)77(128)105-38-30-33-55(105)67(118)95-59(44(3)4)68(119)103-84(23,24)76(127)104-83(21,22)74(125)94-53(35-37-58(110)111)65(116)93-52(34-36-56(86)108)64(115)91-51(42-106)40-50-31-28-27-29-32-50/h27-29,31-32,43-48,51-55,59-60,106H,30,33-42H2,1-26H3,(H2,86,108)(H,87,121)(H,88,122)(H,89,123)(H,90,124)(H,91,115)(H,92,109)(H,93,116)(H,94,125)(H,95,118)(H,96,126)(H,97,107)(H,98,112)(H,99,113)(H,100,114)(H,101,117)(H,102,120)(H,103,119)(H,104,127)(H,110,111)

Cluster

Phytochemical cluster
KCF-S cluster No. 112

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
Hypocreaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Trichoderma longibrachiatum 5548 Hypocreaceae Fungi