Aspochalasin l
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Formula: C25H39NO6
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Molecular weight: 449.60
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Smiles: CC1=CC2C(C(=C(C3C2(C(=O)CC(C(C(CC1)O)O)OC)C(=O)NC3CC(C)C)C)C)O
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Type: Cytochalasan
Aspochalasin l
Names
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Mycotoxin name: Aspochalasin l
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First synonym: Aspochalasin j
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Synonyms:
Identifiers / External links
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CAS: 861136-81-4
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PubChem CID: 11396751
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ChemSpiderID: 9571651
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US FDA (UNII): UNII-SV5K9D2538
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Chemical Entities of Biological Interest (CHEBI): CHEBI:211676
Structure
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Smiles: CC1=CC2C(C(=C(C3C2(C(=O)CC(C(C(CC1)O)O)OC)C(=O)NC3CC(C)C)C)C)O
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Isomeric smiles: C/C/1=C\[C@H]2[C@H](C(=C([C@@H]3[C@@]2(C(=O)CC(C(C(CC1)O)O)OC)C(=O)N[C@H]3CC(C)C)C)C)O
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Inchi: InChI=1S/C25H39NO6/c1-12(2)9-17-21-14(4)15(5)22(29)16-10-13(3)7-8-18(27)23(30)19(32-6)11-20(28)25(16,21)24(31)26-17/h10,12,16-19,21-23,27,29-30H,7-9,11H2,1-6H3,(H,26,31)/b13-10+/t16-,17-,18?,19?,21-,22-,23?,25+/m0/s1
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Inchikey: SEJALNVFDONJGO-GXVMMTHKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H39NO6
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Molecular weight: 449.60
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Monoisotopic mass: 449.27773796
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Fungi
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Fungi id Species 171 Aspergillus microcysticus