Erabulenol b
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Formula: C30H30O10
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Molecular weight: 550.60
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Smiles: CC1C(C2(C(=C3C(=C(C(=O)C4=C3C(=C(C(=C4O)OC)O)C2=O)CC5=C(C(=CC(=C5O)C(=O)C)C)O)C)O1)O)(C)C
Erabulenol b
Names
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Mycotoxin name: Erabulenol b
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First synonym: Erabulenol b
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Synonyms: Erabulenol B,SCHEMBL8274487,2-[(3-acetyl-2,6-dihydroxy-5-methyl-phenyl)methyl]-4,6,7a-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9h-phenaleno[3,2-b]furan-3,7-dione
Identifiers / External links
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CAS: 212068-90-1
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PubChem CID: 135475376
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ChEMBL: CHEMBL8274487
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Chemical Entities of Biological Interest (CHEBI): CHEBI:202930
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SCHEMBL: SCHEMBL8274487
Structure
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Smiles: CC1C(C2(C(=C3C(=C(C(=O)C4=C3C(=C(C(=C4O)OC)O)C2=O)CC5=C(C(=CC(=C5O)C(=O)C)C)O)C)O1)O)(C)C
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Isomeric smiles: CC1C(C2(C(=C3C(=C(C(=O)C4=C3C(=C(C(=C4O)OC)O)C2=O)CC5=C(C(=CC(=C5O)C(=O)C)C)O)C)O1)O)(C)C
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Inchi: InChI=1S/C30H30O10/c1-10-8-15(12(3)31)22(33)16(21(10)32)9-14-11(2)17-18-19(23(14)34)24(35)26(39-7)25(36)20(18)27(37)30(38)28(17)40-13(4)29(30,5)6/h8,13,32-33,35-36,38H,9H2,1-7H3
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Inchikey: RRMVDSDCIMVCIP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H30O10
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Molecular weight: 550.60
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Monoisotopic mass: 550.18389715
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Fungi
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Fungi id Species 951 Penicillium sp. FO-5637