Rhodoxanthin
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Formula: C40H50O2
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Molecular weight: 562.80
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Smiles: CC1=CC(=O)CC(C1=CC=C(C)C=CC=C(C)C=CC=CC(=CC=CC(=CC=C2C(=CC(=O)CC2(C)C)C)C)C)(C)C
Rhodoxanthin
Names
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Mycotoxin name: Rhodoxanthin
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First synonym: Rhodoxanthin
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Synonyms: Rhodoxanthin,116-30-3,UNII-51V984ID9Q,51V984ID9Q,SCHEMBL42598,CHEBI:8835,DTXSID201017050,LMPR01070280,(4E)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-one,C08610,Q2479965,4,5'-retro-beta,beta-Carotene-3,3'-dione, 4',5'-didehydro-
Identifiers / External links
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CAS: 116-30-3
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PubChem CID: 5281251
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DSS TOX CID: DTXCID201475244
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ChEMBL: CHEMBL42598
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US FDA (UNII): UNII-51V984ID9Q
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Wikidata (wiki): Q2479965
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Chemical Entities of Biological Interest (CHEBI): CHEBI:8835
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CompTox Chemicals Dashboard (DTXSID): DTXSID201017050
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SCHEMBL: SCHEMBL42598
Structure
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Smiles: CC1=CC(=O)CC(C1=CC=C(C)C=CC=C(C)C=CC=CC(=CC=CC(=CC=C2C(=CC(=O)CC2(C)C)C)C)C)(C)C
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Isomeric smiles: CC\1=CC(=O)CC(/C1=C\C=C(\C=C\C=C(\C=C\C=C\C(=C\C=C\C(=C\C=C\2/C(CC(=O)C=C2C)(C)C)\C)\C)/C)/C)(C)C
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Inchi: InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-
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Inchikey: VWXMLZQUDPCJPL-ZDHAIZATSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C40H50O2
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Molecular weight: 562.80
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Monoisotopic mass: 562.381080833
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Fungi
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Fungi id Species