Ps 990
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Formula: C32H36O10
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Molecular weight: 580.60
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Smiles: CC1=C(C(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)O)C)OC)C)O)C
Ps 990
Names
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Mycotoxin name: Ps 990
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First synonym: Ps-990
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Synonyms: PS-990,158792-23-5,PS 990,DTXSID10935995,4-[2-hydroxy-4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid,Benzoic acid, 2-hydroxy-4-((4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy)-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester,4-((4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy)-2-hydroxy-3,5,6-trimethylbenzoic acid 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester,4-({2-Hydroxy-4-[(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy]-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid
Identifiers / External links
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CAS: 158792-23-5
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PubChem CID: 157810
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Chemical Entities of Biological Interest (CHEBI): CHEBI:216036
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CompTox Chemicals Dashboard (DTXSID): DTXSID10935995
Structure
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Smiles: CC1=C(C(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)O)C)OC)C)O)C
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Isomeric smiles: CC1=C(C(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)O)C)OC)C)O)C
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Inchi: InChI=1S/C32H36O10/c1-12-15(4)24(33)18(7)28(39-10)23(12)32(38)41-26-16(5)13(2)21(25(34)19(26)8)31(37)42-27-17(6)14(3)22(30(35)36)29(40-11)20(27)9/h33-34H,1-11H3,(H,35,36)
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Inchikey: UESGSZFVMHDIFM-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H36O10
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Molecular weight: 580.60
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Monoisotopic mass: 580.23084734
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Fungi
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Fungi id Species 18 Acremonium sp. KY12702