Baccharin B5
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Formula: C30H40O10
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Molecular weight: 560.60
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Smiles: CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(CC6C5O3)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O
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Type: Trichothecene
Baccharin B5
Names
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Mycotoxin name: Baccharin B5
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First synonym: None
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Synonyms: Baccharin B5,CHEMBL1079023
Identifiers / External links
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PubChem CID: 46883117
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ChemSpiderID: 24676718
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ChEMBL: CHEMBL1079023
Structure
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Smiles: CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(CC6C5O3)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O
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Isomeric smiles: C[C@@H]([C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CC[C@@]6(C[C@@H]6[C@H]5O3)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O
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Inchi: InChI=1S/C30H40O10/c1-16(31)18-7-5-6-8-22(33)38-20-11-21-30(15-37-30)28(20,4)29(10-9-26(2)12-17(26)23(29)39-21)14-36-25(34)24-27(3,40-24)19(32)13-35-18/h5-8,16-21,23-24,31-32H,9-15H2,1-4H3/b7-5+,8-6-/t16-,17+,18+,19-,20+,21+,23+,24+,26+,27+,28+,29+,30-/m0/s1
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Inchikey: WQRCKVTWTGJUTO-CTBVFYMOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H40O10
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Molecular weight: 560.60
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Monoisotopic mass: 560.26214747
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Fungi
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Fungi id Species