Secalonic acid a

Formula: C32H30O14
Molecular weight: 638.60
Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O
Type: Xanthone dimer

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Secalonic acid a

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Secalonic acid a
First synonym: Secalonic acid a
Synonyms: Secalonic acid A,Entothein,UNII-PFL7XJ35SC,PFL7XJ35SC,35287-72-0,Ergochrome AA(2,2'),CHEMBL500027,SCHEMBL3628601,CHEBI:144222,(7,7'-Bi-4aH-xanthene)-4a,4'a-dicarboxylic acid, 2,2',3,3,'4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, (3R-(3-alpha,4-beta,4-alpha,beta,7(3'R*,4'S*,4'aS*)))-,Q27286521,UNII-B3QU38967V component DRYDKQOPVBDZMQ-ZKHWAINJSA-N

Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O
Isomeric smiles: C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@@]6([C@H]([C@@H](CC(=O)C6=C5O)C)O)C(=O)OC)O)O[C@@]2([C@H]1O)C(=O)OC)O
Inchi: InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1
Inchikey: NFZJAYYORNVZNI-ZKHWAINJSA-N

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