Ascofuranol

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Ascofuranol

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Ascofuranol
First synonym: Ascofuranol
Synonyms: Ascofuranol,51759-79-6,5-chloro-2,4-dihydroxy-3-[(2E,6E)-7-[(2S,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]-3-methylocta-2,6-dienyl]-6-methylbenzaldehyde,(-)-ascofuranol,CHEBI:146279,(2'E,6'E,1'S,4'S )-(-)-5-chloro-2,4-dihydroxy-6-methyl-3-[7'-(3',3'-dimethyl-4'-hydroxy-2'-oxacyclopentyl)-3',7'-dimethyl-2',6'-hepta-dienyl]benzaldehyde,(2S-(2alpha(2E,6E),4alpha))-3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-7-(tetrahydro-4-hydroxy-5,5-dimethyl-2-furanyl)-2,6-octadienyl)-benzaldehyde,3-chloro-4,6-dihydroxy-5-{(2E,6E)-7-[(2S,4S)-4-hydroxy-5,5-dimethyltetrahydrofuran-2-yl]-3-methylocta-2,6-dien-1-yl}-2-methylbenzaldehyde,Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-7-(tetrahydro-4-hydroxy-5,5-dimethyl-2-furanyl)-2,6-octadienyl)-, (2S-(2alpha(2E,6E),4alpha))-

Smiles: CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)C2CC(C(O2)(C)C)O)O)C=O
Isomeric smiles: CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@@H]2C[C@@H](C(O2)(C)C)O)O)C=O
Inchi: InChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-,19-/m0/s1
Inchikey: YHXSUSPTGLHIRR-UZFWGDPLSA-N

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Fungi id	Species
12	Acremonium sp.