Fusarin X
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Formula: C23H29NO8
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Molecular weight: 447.50
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Smiles: CC(=CC(=CC(=CCO)C(=O)OC)C)C=CC=C(C)C(=O)C12C(O1)C(NC2=O)(CCO)O
Fusarin X
Names
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Mycotoxin name: Fusarin X
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First synonym: None
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Synonyms: Fusarin X,UNII-XQ42Z4GA8U,145569-98-8,XQ42Z4GA8U,CCRIS 6427,FUSARINE X,3,5,7,9-UNDECATETRAENOIC ACID, 2-(2-HYDROXYETHYLIDENE)-11-(4-HYDROXY-4-(2-HYDROXYETHYL)-2-OXO-6-OXA-3-AZABICYCLO(3.1.0)HEX-1-YL)-4,6,10-TRIMETHYL-11-OXO-, METHYL ESTER, (1R-(1.ALPHA.(2E,3E,5E,7E,9E),5.ALPHA.,6.ALPHA.))-,3,5,7,9-Undecatetraenoic acid, 2-(2-hydroxyethylidene)-11-(4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo(3.1.0)hex-1-yl)-4,6,10-trimethyl-11-oxo-, methyl ester, (1R-(1alpha(2E,3E,5E,7E,9E),5alpha,6alpha))-,methyl (2E,3E,5E,7E,9E)-2-(2-hydroxyethylidene)-11-((1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo(3.1.0)hexan-1-yl)-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate,methyl (2E,3E,5E,7E,9E)-2-(2-hydroxyethylidene)-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate,DTXSID601030672,Q27293956
Identifiers / External links
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CAS: 145569-98-8
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PubChem CID: 119057413
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ChemSpiderID: 4944648
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US FDA (UNII): UNII-XQ42Z4GA8U
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Wikidata (wiki): Q42,Q27293956
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CompTox Chemicals Dashboard (DTXSID): DTXSID601030672
Structure
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Smiles: CC(=CC(=CC(=CCO)C(=O)OC)C)C=CC=C(C)C(=O)C12C(O1)C(NC2=O)(CCO)O
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Isomeric smiles: C/C(=C\C(=C\C(=C/CO)\C(=O)OC)\C)/C=C/C=C(\C)/C(=O)[C@@]12[C@@H](O1)[C@](NC2=O)(CCO)O
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Inchi: InChI=1S/C23H29NO8/c1-14(12-15(2)13-17(8-10-25)19(28)31-4)6-5-7-16(3)18(27)23-20(32-23)22(30,9-11-26)24-21(23)29/h5-8,12-13,20,25-26,30H,9-11H2,1-4H3,(H,24,29)/b6-5+,14-12+,15-13+,16-7+,17-8+/t20-,22-,23-/m0/s1
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Inchikey: BQNIBQCGAUMMSM-IDRRMPRMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H29NO8
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Molecular weight: 447.50
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Monoisotopic mass: 447.18931688
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Fungi
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Fungi id Species