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aflatrem

MNXM148037 is deprecated and replaced by MNXM1100336
PropertiesImage
MNX_IDMNXM1100336 Image of MNXM1100336
referencechebi:181944
formulaC32H39NO4
global charge0
mol weight501.667
InChIKeyYVDJBQQJIDPRKP-SLUQHKSNSA-N
InChIInChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1
SMILESC=CC(C)(C)C1=CC=CC2=C1C1=C(N2)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@@]32C)OC5(C)C)C1
MNX internals
InChI (mnx)InChI=1/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1 Image of MNXM1100336
SMILES (mnx)[CH2:1]=[CH:8][C:27]([CH3:2])([CH3:3])[C:20]1=[C:24]2[C:19]3=[C:25]([C@@:30]4([CH3:7])[C@@H:18]([CH2:12][CH2:13][C@@:31]5([OH:35])[C:23]6=[CH:17][C:22](=[O:34])[C@H:26]7[C:28]([CH3:4])([CH3:5])[O:37][C@:32]6([CH2:15][CH2:14][C@:29]45[CH3:6])[O:36]7)[CH2:16]3)[NH:33][C:21]2=[CH:11][CH:9]=[CH:10]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181944
chebi:181944
YVDJBQQJIDPRKP-SLUQHKSNSA-N 		aflatrem
(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-12-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one
Aflatrem

kegg.compound:C20555
keggC:C20555
YVDJBQQJIDPRKP-SLUQHKSNSA-N 		Aflatrem

seed.compound:cpd31189
seedM:cpd31189
YVDJBQQJIDPRKP-SLUQHKSNSA-N 		Aflatrem
aflatrem

metacyc.compound:CPD-16963
metacycM:CPD-16963
YVDJBQQJIDPRKP-SLUQHKSNSA-N 		aflatrem

keggC:M_C20555
seedM:M_cpd31189 		secondary/obsolete/fantasy identifier