Ankaflavin
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Formula: C23H30O5
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Molecular weight: 386.50
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Smiles: CCCCCCCC(=O)C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)C
Ankaflavin
Names
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Mycotoxin name: Ankaflavin
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First synonym: Ankaflavin
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Synonyms: ANKAFLAVIN,50980-32-0,(3S,3aR,9aR)-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione,CHEMBL1215462,HY-N6642,AKOS037515363,XA165909,CS-0062873,(3S,3aR,9aR)-9a-Methyl-3-octanoyl-6-((E)-prop-1-en-1-yl)-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione
Identifiers / External links
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CAS: 50980-32-0
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PubChem CID: 15294091
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ChemSpiderID: 25046271
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ChEMBL: CHEMBL1215462
Structure
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Smiles: CCCCCCCC(=O)C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)C
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Isomeric smiles: CCCCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@@]2(OC1=O)C
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Inchi: InChI=1S/C23H30O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12,18,20H,4,6-9,11,13-14H2,1-3H3/b10-5+/t18-,20+,23-/m1/s1
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Inchikey: AQTJNEHGKRUSLT-ODTNPMSZSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H30O5
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Molecular weight: 386.50
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Monoisotopic mass: 386.20932405
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Fungi
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Fungi id Species 638 Monascus purpureus BCRC 38113