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fusaridione A (open ring)

PropertiesImage
MNX_IDMNXM149046 Image of MNXM149046
referencemetacycM:CPD-17996
formulaC27H33NO5
global charge0
mol weight451.563
InChIKeyQYOOOQHFZSDPSQ-BDJYZKQXSA-N
InChIInChI=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
SMILESC/C=C(C)/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM149046
SMILES (mnx)[CH3:1]/[CH:6]=[C:18]([CH3:2])/[CH:16]=[C:20]([CH3:4])/[CH:9]=[CH:7]/[CH:8]=[C:19]([CH3:3])/[CH:10]=[CH:15]/[C:25]([CH:21]([CH3:5])[C:26](=[N:28][C@@H:24]([CH2:17][C:22]1=[CH:12][CH:14]=[C:23]([OH:29])[CH:13]=[CH:11]1)[C:27](=[O:32])[OH:33])[OH:31])=[O:30]
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

metacyc.compound:CPD-17996
metacycM:CPD-17996
QYOOOQHFZSDPSQ-BDJYZKQXSA-N 		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
QYOOOQHFZSDPSQ-BDJYZKQXSA-M 		(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