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fusaridione A (open ring)

Properties

Image

Occurences in reactions

MNX_ID

MNXM149046

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

formula

C₂₇H₃₃NO₅

charge

mass

451.23587

reference

metacycM:CPD-17996

InChIKey

QYOOOQHFZSDPSQ-BDJYZKQXSA-N

InChI

InChI=1S/C27H33NO5/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-25(30)21(5)26(31)28-24(27(32)33)17-22-11-13-23(29)14-12-22/h6-16,21,24,29H,17H2,1-5H3,(H,28,31)(H,32,33)/b9-7+,15-10+,18-6+,19-8+,20-16+/t21?,24-/m0/s1

SMILES

C/C=C(C)/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-17996 metacycM:CPD-17996	fusaridione A (open ring) (2S)-3-(4-hydroxyphenyl)-2-[(4E,6E,8E,10E,12E)-2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenamido]propanoate (2S)-3-(4-hydroxyphenyl)-2-[(4E,6E,8E,10E,12E)-2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenamido]propanoic acid
seed.compound:cpd35316 seedM:cpd35316	(2S)-3-(4-hydroxyphenyl)-2-[(4E,6E,8E,10E,12E)-2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenamido]propanoate (2S)-3-(4-hydroxyphenyl)-2-[(4E,6E,8E,10E,12E)-2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenamido]propanoic acid fusaridione A (open ring)
seedM:M_cpd35316	secondary/obsolete/fantasy identifier