Xyloester a
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Formula: C23H30O5
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Molecular weight: 386.50
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Smiles: CCCCCC=C(C(C)C(=O)OCC1=CC2=C(C=C1)OC(C2)C(=C)C)C(=O)O
Xyloester a
Names
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Mycotoxin name: Xyloester a
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First synonym: Xyloester a
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Synonyms: xyloester A,CHEMBL519544
Identifiers / External links
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CAS: 1035349-34-8
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PubChem CID: 24970516
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ChEMBL: CHEMBL519544
Structure
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Smiles: CCCCCC=C(C(C)C(=O)OCC1=CC2=C(C=C1)OC(C2)C(=C)C)C(=O)O
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Isomeric smiles: CCCCC/C=C(\C(C)C(=O)OCC1=CC2=C(C=C1)OC(C2)C(=C)C)/C(=O)O
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Inchi: InChI=1S/C23H30O5/c1-5-6-7-8-9-19(22(24)25)16(4)23(26)27-14-17-10-11-20-18(12-17)13-21(28-20)15(2)3/h9-12,16,21H,2,5-8,13-14H2,1,3-4H3,(H,24,25)/b19-9+
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Inchikey: ZWJBVZKAYJMZCN-DJKKODMXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H30O5
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Molecular weight: 386.50
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Monoisotopic mass: 386.20932405
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Fungi
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Fungi id Species