PCIDB

KNApSAcK Metabolite C00048494

Metabolite

KNApSAcK Entry

id C00048494
Name Nilotinin D3
CAS RN 1194826-25-9
Standard InChI InChI=1S/C75H54O48/c76-14-40(62(119-66(104)17-1-26(77)46(90)27(78)2-17)61-38(89)15-113-70(108)21-9-33(84)50(94)55(99)42(21)44-23(72(110)118-61)11-35(86)52(96)57(44)101)116-74(112)25-13-37(88)54(98)59(103)60(25)115-39-8-20(7-32(83)49(39)93)69(107)123-75-65(122-68(106)19-5-30(81)48(92)31(82)6-19)64(121-67(105)18-3-28(79)47(91)29(80)4-18)63-41(117-75)16-114-71(109)22-10-34(85)51(95)56(100)43(22)45-24(73(111)120-63)12-36(87)53(97)58(45)102/h1-14,38,40-41,61-65,75,77-103H,15-16H2
Standard InChI (Main Layer) InChI=1S/C75H54O48/c76-14-40(62(119-66(104)17-1-26(77)46(90)27(78)2-17)61-38(89)15-113-70(108)21-9-33(84)50(94)55(99)42(21)44-23(72(110)118-61)11-35(86)52(96)57(44)101)116-74(112)25-13-37(88)54(98)59(103)60(25)115-39-8-20(7-32(83)49(39)93)69(107)123-75-65(122-68(106)19-5-30(81)48(92)31(82)6-19)64(121-67(105)18-3-28(79)47(91)29(80)4-18)63-41(117-75)16-114-71(109)22-10-34(85)51(95)56(100)43(22)45-24(73(111)120-63)12-36(87)53(97)58(45)102/h1-14,38,40-41,61-65,75,77-103H,15-16H2

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 126

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Tamaricaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Tamarix nilotica 189799 Tamaricaceae eudicotyledons Viridiplantae