Phomoxanthone a

Formula: C38H38O16
Molecular weight: 750.70
Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3OC2(C1OC(=O)C)COC(=O)C)C4=C5C(=C(C=C4)O)C(=C6C(=O)CC(C(C6(O5)COC(=O)C)OC(=O)C)C)O)O)O

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Phomoxanthone a

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Phomoxanthone a
First synonym: Phomoxanthone a
Synonyms: Phomoxanthone A,CHEBI:66749,359844-69-2,[(3R,4R,4aR)-5-[(5R,6R,10aR)-5-acetyloxy-10a-(acetyloxymethyl)-1,9-dihydroxy-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate,CHEMBL504079,Q27135373,(5R*,5'R*,6R*,6'R*,10aR*,10a'R*)-10a,10a'-bis[(acetyloxy)methyl]-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-4,4'-bixanthene-5,5'-diyl diacetate,rel-[(5R,5'R,6R,6'R,10aR,10a'R)-5,5'-Diacetoxy-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-4,4'-bixanthene-10a,10a'-diyl]bis(methylene) diacetate

Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3OC2(C1OC(=O)C)COC(=O)C)C4=C5C(=C(C=C4)O)C(=C6C(=O)CC(C(C6(O5)COC(=O)C)OC(=O)C)C)O)O)O
Isomeric smiles: C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O[C@@]2([C@@H]1OC(=O)C)COC(=O)C)C4=C5C(=C(C=C4)O)C(=C6C(=O)C[C@H]([C@H]([C@]6(O5)COC(=O)C)OC(=O)C)C)O)O)O
Inchi: InChI=1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-44,47-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1
Inchikey: ZCLZNQUALWMDDN-ACMZUNAXSA-N

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Fungi id	Species
1049	Phomopsis sp.