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Aflatrem

MNXM148037 is deprecated and replaced by MNXM1100336

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100336

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₂H₃₉NO₄

charge

mass

501.28791

reference

keggC:C20555

InChIKey

YVDJBQQJIDPRKP-SLUQHKSNSA-N

InChI

InChI=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

SMILES

C=CC(C)(C)c1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C20555 keggC:C20555	Aflatrem
seed.compound:cpd31189 seedM:cpd31189	Aflatrem aflatrem
metacyc.compound:CPD-16963 metacycM:CPD-16963	aflatrem
keggC:M_C20555 seedM:M_cpd31189	secondary/obsolete/fantasy identifier