Alterporriol C
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Formula: C32H26O13
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Molecular weight: 618.50
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Smiles: CC1=CC2=C(C(=C1O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C(C(C(C5O)O)(C)O)O)OC)C(=O)C6=C(C2=O)C=C(C=C6O)OC
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Type: Anthraquinoid dimer
Alterporriol C
Names
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Mycotoxin name: Alterporriol C
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First synonym: None
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Synonyms: Alterporriol C,118074-08-1,2,8-dihydroxy-6-methoxy-3-methyl-1-(1,5,6,7,8-pentahydroxy-3-methoxy-6-methyl-9,10-dioxo-7,8-dihydro-5H-anthracen-2-yl)anthracene-9,10-dione,(5'R,6'S,7'R,8'S)-1',2,5',6',7',8,8'-Heptahydroxy-3',6-dimethoxy-3,6'-dimethyl-5',6',7',8'-tetrahydro-[1,2'-bianthracene]-9,9',10,10'-tetraone,DTXSID20922598,CHEBI:219518,AKOS040750363,(1,2'-Bianthracene)-9,9',10,10'-tetrone, 5',6',7',8'-tetrahydro-1',2,5',6',7',8,8'-heptahydroxy-3',6-dimethoxy-3,6'-dimethyl-, stereoisomer,1',2,5',6',7',8,8'-Heptahydroxy-3',6-dimethoxy-3,6'-dimethyl-5',6',7',8'-tetrahydro[1,2'-bianthracene]-9,9',10,10'-tetrone
Identifiers / External links
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CAS: 118074-08-1
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PubChem CID: 189544
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ChemSpiderID: 28508740
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219518
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CompTox Chemicals Dashboard (DTXSID): DTXSID20922598
Structure
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Smiles: CC1=CC2=C(C(=C1O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C(C(C(C5O)O)(C)O)O)OC)C(=O)C6=C(C2=O)C=C(C=C6O)OC
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Isomeric smiles: CC1=CC2=C(C(=C1O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C(C(C(C5O)O)(C)O)O)OC)C(=O)C6=C(C2=O)C=C(C=C6O)OC
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Inchi: InChI=1S/C32H26O13/c1-9-5-11-17(26(37)16-12(24(11)35)6-10(44-3)7-14(16)33)20(23(9)34)19-15(45-4)8-13-18(27(19)38)28(39)21-22(25(13)36)30(41)32(2,43)31(42)29(21)40/h5-8,29-31,33-34,38,40-43H,1-4H3
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Inchikey: PSGFKGASHCTNSI-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H26O13
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Molecular weight: 618.50
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Monoisotopic mass: 618.13734088
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Fungi
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Fungi id Species 45 Alternaria porri