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trioxilin A3

Properties

Image

Occurences in reactions

MNX_ID

MNXM737897

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

formula

C₂₀H₃₃O₅

charge

-1

mass

353.23335

reference

metacycM:CPD-2046

InChIKey

WPLPEZUSILBTGP-ADMPAMIKSA-M

InChI

InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+

SMILES

CCCCC/C=C\CC(O)C(O)/C=C/C(O)C/C=C\CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-2046 metacycM:CPD-2046	trioxilin A3 (5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-trihydroxyicosa-5,9,14-trienoate
seed.compound:cpd02940 seedM:cpd02940	Trioxilin A3 (5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate (5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid (5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-trihydroxyicosa-5,9,14-trienoate trioxilin A3
seedM:M_cpd02940	secondary/obsolete/fantasy identifier