6-epi-3-anhydroophiobolin b
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Formula: C25H36O3
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Molecular weight: 384.60
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Smiles: CC1=CC(=O)C2C1CC3(CCC(C3CC=C2C=O)(C(C)CCC=C(C)C)O)C
6-epi-3-anhydroophiobolin b
Names
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Mycotoxin name: 6-epi-3-anhydroophiobolin b
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First synonym: 6-epi-3-anhydroophiobolin b
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Synonyms: 6-epi-3-Anhydroophiobolin B
Identifiers / External links
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CAS: 231605-69-9
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PubChem CID: 10833928
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ChemSpiderID: 9009228
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Chemical Entities of Biological Interest (CHEBI): CHEBI:225414
Structure
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Smiles: CC1=CC(=O)C2C1CC3(CCC(C3CC=C2C=O)(C(C)CCC=C(C)C)O)C
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Isomeric smiles: CC1=CC(=O)[C@@H]/2[C@@H]1C[C@]3(CC[C@@]([C@@H]3C/C=C2/C=O)([C@@H](C)CCC=C(C)C)O)C
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Inchi: InChI=1S/C25H36O3/c1-16(2)7-6-8-18(4)25(28)12-11-24(5)14-20-17(3)13-21(27)23(20)19(15-26)9-10-22(24)25/h7,9,13,15,18,20,22-23,28H,6,8,10-12,14H2,1-5H3/b19-9-/t18-,20+,22+,23-,24+,25-/m0/s1
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Inchikey: NELFJHALXVSFHU-LTYVNTHZSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H36O3
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Molecular weight: 384.60
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Monoisotopic mass: 384.26644501
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Fungi
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Fungi id Species 377 Cochliobolus heterostrophus