Helicusin a
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Formula: C25H27ClO7
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Molecular weight: 474.90
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Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C=C(C)CC(=O)O)Cl
Helicusin a
Names
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Mycotoxin name: Helicusin a
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First synonym: Helicusin a
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Synonyms: Helicusin A
Identifiers / External links
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CAS: 157489-72-0
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PubChem CID: 10435054
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ChemSpiderID: 8610479
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200854
Structure
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Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C=C(C)CC(=O)O)Cl
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Isomeric smiles: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@@](C(=O)C2=CO1)(C)OC(=O)/C=C(\C)/CC(=O)O)Cl
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Inchi: InChI=1S/C25H27ClO7/c1-6-14(2)9-15(3)7-8-17-12-18-19(13-32-17)23(30)25(5,24(31)22(18)26)33-21(29)11-16(4)10-20(27)28/h7-9,11-14H,6,10H2,1-5H3,(H,27,28)/b8-7+,15-9+,16-11+/t14-,25-/m0/s1
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Inchikey: HIYBJBWWMULNJP-FDJFFGAXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H27ClO7
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Molecular weight: 474.90
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Monoisotopic mass: 474.1445309
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Fungi
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Fungi id Species 1118 Talaromyces helius IFM 42241