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Monascin

  • Formula: C21H26O5

  • Molecular weight: 358.40

  • Smiles: CCCCCC(=O)C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)C

  • Type: Furobenzofuran

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Monascin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Monascin

  • First synonym: Monascin

  • Synonyms: Monascin,21516-68-7,UNII-W74D2M37FX,W74D2M37FX,CHEBI:82621,(3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione,CCRIS 9138,CHEMBL1215463,SCHEMBL13100009,Monascin, >=97.0% (HPLC),HY-N6641,ZINC58563822,AKOS037515362,XM161521,CS-0062869,Q27156138,(3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione

Identifiers / External links

Structure

  • Smiles: CCCCCC(=O)C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)C

  • Isomeric smiles: CCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@@]2(OC1=O)C

  • Inchi: InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+/t16-,18+,21-/m1/s1

  • Inchikey: XXKNHBAFFJINCK-RVEJDSBJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H26O5

  • Molecular weight: 358.40

  • Monoisotopic mass: 358.17802393

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