Metabolite

KNApSAcK Entry

id C00017844
Name Actinoidin A2
CAS RN 108905-13-1
Standard InChI InChI=1S/C84H93ClN8O33/c1-31-62(99)66(103)69(106)82(118-31)126-74-68(105)65(102)53(30-95)123-84(74)125-73-50-24-38-25-51(73)120-48-20-14-37(23-44(48)85)72(124-54-28-45(86)71(116-3)32(2)117-54)61-80(113)91-59(81(114)115)43-26-40(97)27-49(121-83-70(107)67(104)64(101)52(29-94)122-83)55(43)42-22-36(13-19-47(42)98)57(77(110)93-61)90-78(111)58(38)89-75(108)46(21-33-7-5-4-6-8-33)88-79(112)60(63(100)35-11-17-41(119-50)18-12-35)92-76(109)56(87)34-9-15-39(96)16-10-34/h4-20,22-27,31-32,45-46,52-54,56-72,74,82-84,94-107H,21,28-30,86-87H2,1-3H3,(H,88,112)(H,89,108)(H,90,111)(H,91,113)(H,92,109)(H,93,110)(H,114,115)/t31?,32?,45?,46?,52?,53?,54?,56?,57?,58?,59?,60?,61?,62-,63?,64+,65+,66+,67-,68-,69?,70?,71?,72?,74?,82-,83-,84-/m0/s1
Standard InChI (Main Layer) InChI=1S/C84H93ClN8O33/c1-31-62(99)66(103)69(106)82(118-31)126-74-68(105)65(102)53(30-95)123-84(74)125-73-50-24-38-25-51(73)120-48-20-14-37(23-44(48)85)72(124-54-28-45(86)71(116-3)32(2)117-54)61-80(113)91-59(81(114)115)43-26-40(97)27-49(121-83-70(107)67(104)64(101)52(29-94)122-83)55(43)42-22-36(13-19-47(42)98)57(77(110)93-61)90-78(111)58(38)89-75(108)46(21-33-7-5-4-6-8-33)88-79(112)60(63(100)35-11-17-41(119-50)18-12-35)92-76(109)56(87)34-9-15-39(96)16-10-34/h4-20,22-27,31-32,45-46,52-54,56-72,74,82-84,94-107H,21,28-30,86-87H2,1-3H3,(H,88,112)(H,89,108)(H,90,111)(H,91,113)(H,92,109)(H,93,110)(H,114,115)

Cluster

Phytochemical cluster
KCF-S cluster No. 263

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
Nocardiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Nocardia sp. SK&F-AAJ-193 1817 Nocardiaceae Bacteria