Stachybotrin B
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Formula: C23H31NO4
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Molecular weight: 385.50
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Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CNC3=O)O)O)C)C)C
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Type: Pyranoisoindole
Stachybotrin B
Names
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Mycotoxin name: Stachybotrin B
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First synonym: None
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Synonyms: Stachybotrin B,(2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7-one,(2S,3S)-2-((3E)-4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-3,4,8,9-tetrahydropyrano(2,3-e)isoindol-7-one,MEGxm0_000035,SCHEMBL2624847,ACon1_001410,CHEBI:200215,NCGC00180535-01
Identifiers / External links
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PubChem CID: 10249507
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ChEMBL: CHEMBL2624847
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200215
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SCHEMBL: SCHEMBL2624847
Structure
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Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CNC3=O)O)O)C)C)C
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Isomeric smiles: CC(=CCC/C(=C/CC[C@]1([C@H](CC2=C(C=C3C(=C2O1)CNC3=O)O)O)C)/C)C
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Inchi: InChI=1S/C23H31NO4/c1-14(2)7-5-8-15(3)9-6-10-23(4)20(26)12-17-19(25)11-16-18(21(17)28-23)13-24-22(16)27/h7,9,11,20,25-26H,5-6,8,10,12-13H2,1-4H3,(H,24,27)/b15-9+/t20-,23-/m0/s1
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Inchikey: XGUHYRYUXUVLOK-BHNVPJQESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H31NO4
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Molecular weight: 385.50
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Monoisotopic mass: 385.22530847
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Fungi
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Fungi id Species 1095 Stachybotrys sp.