Deoxyrubroskyrin
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Formula: C30H22O11
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Molecular weight: 558.50
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Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)CC(C4C3(C2=O)C5C(C4C6=C(C5=O)C(=C7C(=O)C=C(C(=O)C7=C6O)C)O)O)O)O
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Type: Anthraquinoid dimer
Deoxyrubroskyrin
Names
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Mycotoxin name: Deoxyrubroskyrin
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First synonym: Chebi:173290
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Synonyms: CHEBI:173290,8,10,14,18,25,28-hexahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone
Identifiers / External links
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CAS: 52680-04-3
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PubChem CID: 131751088
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ChemSpiderID: 35013275
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Chemical Entities of Biological Interest (CHEBI): CHEBI:173290
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CompTox Chemicals Dashboard (DTXSID): DTXSID701098825
Structure
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Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)CC(C4C3(C2=O)C5C(C4C6=C(C5=O)C(=C7C(=O)C=C(C(=O)C7=C6O)C)O)O)O)O
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Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)CC(C4C3(C2=O)C5C(C4C6=C(C5=O)C(=C7C(=O)C=C(C(=O)C7=C6O)C)O)O)O)O
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Inchi: InChI=1S/C30H22O11/c1-7-3-9-14(10(31)4-7)26(38)21-13(34)6-12(33)20-17-16-19(28(40)22(27(17)39)30(20,21)29(9)41)24(36)15-11(32)5-8(2)23(35)18(15)25(16)37/h3-5,12,17,20,22,27,31,33,36-39H,6H2,1-2H3
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Inchikey: GJOVYUUFPQQOPS-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H22O11
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Molecular weight: 558.50
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Monoisotopic mass: 558.11621151
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Fungi
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Fungi id Species 834 Penicillium islandicum