Aurovertin B
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Formula: C25H32O8
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Molecular weight: 460.50
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Smiles: CCC1C2(C(C(O1)(C(C(O2)C=CC=CC=CC3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C
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Type: Six-membered lactone
Aurovertin B
Names
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Mycotoxin name: Aurovertin B
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First synonym: None
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Synonyms: aurovertin b,[(1S,3S,4S,5S,7R,8S)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate,SCHEMBL21067566,DB07394,AUR,NS00071822,Q27096613,(1S)-4-O-acetyl-1,5:3,6-dianhydro-7,8-dideoxy-1-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)hexa-1,3,5-trien-1-yl]-3,5-dimethyl-D-glycero-L-talo-octitol
Identifiers / External links
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PubChem CID: 444853
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ChEMBL: CHEMBL21067566
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Wikidata (wiki): Q27096613
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SCHEMBL: SCHEMBL21067566
Structure
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Smiles: CCC1C2(C(C(O1)(C(C(O2)C=CC=CC=CC3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C
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Isomeric smiles: CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C
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Inchi: InChI=1S/C25H32O8/c1-7-20-24(4)23(30-16(3)26)25(5,33-20)22(28)18(32-24)13-11-9-8-10-12-17-15(2)19(29-6)14-21(27)31-17/h8-14,18,20,22-23,28H,7H2,1-6H3/b9-8+,12-10+,13-11+/t18-,20+,22-,23+,24-,25-/m0/s1
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Inchikey: QXCOFYWOWZJFEA-YJMRODJJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H32O8
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Molecular weight: 460.50
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Monoisotopic mass: 460.20971797
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Fungi
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Fungi id Species