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pretenellin B

MNXM148471 is deprecated and replaced by MNXM1100464

Properties

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Occurences in reactions

MNX_ID

MNXM1100464

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₂₂NO₄

charge

-1

mass

352.15543

reference

InChIKey

RUYOCRHCIKMVOH-QDPFKYGGSA-M

InChI

InChI=1S/C21H23NO4/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22-21(19)26)15-6-8-16(23)9-7-15/h5-13,23H,4H2,1-3H3,(H2,22,25,26)/p-1/b10-5+,14-11+

SMILES

CCC(C)/C=C(C)/C=C/C(=O)c1c([O-])c(-c2ccc(O)cc2)c[nH]c1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-17123 metacycM:CPD-17123	pretenellin B 3-[(2E,4E)-4,6-dimethyl-2,4-octadienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-2(1H)-pyridinone
seed.compound:cpd32009 seedM:cpd32009	3-[(2E,4E)-4,6-dimethyl-2,4-octadienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-2(1H)-pyridinone pretenellin B
seedM:M_cpd32009	secondary/obsolete/fantasy identifier