Asebotoxin ii
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Formula: C23H36O6
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Molecular weight: 408.50
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Smiles: CCC(=O)OC1C2CCC3C1(CC(C4(C(C3=C)CC(C4(C)C)O)O)O)CC2(C)O
Asebotoxin ii
Names
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Mycotoxin name: Asebotoxin ii
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First synonym: Asebotoxin ii
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Synonyms: Asebotoxin II,23984-18-1,C09063,CHEBI:2872,CHEMBL4569864,DTXSID20946835,Q27105856,3,5,6,16-Tetrahydroxygrayanotox-10-en-14-yl propanoate
Identifiers / External links
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CAS: 23984-18-1
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PubChem CID: 442003
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ChemSpiderID: 390562
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ChEMBL: CHEMBL4569864
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Wikidata (wiki): Q27105856
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Chemical Entities of Biological Interest (CHEBI): CHEBI:2872
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CompTox Chemicals Dashboard (DTXSID): DTXSID20946835
Structure
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Smiles: CCC(=O)OC1C2CCC3C1(CC(C4(C(C3=C)CC(C4(C)C)O)O)O)CC2(C)O
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Isomeric smiles: CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H](C3=C)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O
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Inchi: InChI=1S/C23H36O6/c1-6-18(26)29-19-14-8-7-13-12(2)15-9-16(24)20(3,4)23(15,28)17(25)10-22(13,19)11-21(14,5)27/h13-17,19,24-25,27-28H,2,6-11H2,1,3-5H3/t13-,14+,15-,16-,17+,19+,21+,22-,23-/m0/s1
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Inchikey: VVXZWGWGAMWPOU-GTPZWBMOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H36O6
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Molecular weight: 408.50
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Monoisotopic mass: 408.25118886
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Fungi
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Fungi id Species 700 Nigrospora sphaerica