Longirostrerone b

Formula: C31H42O6
Molecular weight: 510.70
Smiles: CCC(C)CC(C)C=C(C)C=CC(=O)CC1C2=COC(=CC2=CC(=O)C1(C)O)C3C(CC(CC3=O)O)C

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Longirostrerone b

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Longirostrerone b
First synonym: Longirostrerone b
Synonyms: Longirostrerone B,CHEBI:68981,longirostreroneB,CHEMBL1939683,Q27104962,(7R,8S)-7-hydroxy-3-[(1S,2S,4R)-4-hydroxy-2-methyl-6-oxocyclohexyl]-7-methyl-8-[(3E,5E)-5,7,9-trimethyl-2-oxoundeca-3,5-dien-1-yl]-7,8-dihydro-6H-isochromen-6-one,7-hydroxy-3-(4-hydroxy-6-methyl-2-oxocyclohexyl)-8-(5,7,9-trimethylundeca-3,5-dienoyl)-(7R)-7-methyl-8-hydro-7H-furo-[2,3-h]isochromene-6,18-dione

Smiles: CCC(C)CC(C)C=C(C)C=CC(=O)CC1C2=COC(=CC2=CC(=O)C1(C)O)C3C(CC(CC3=O)O)C
Isomeric smiles: CCC(C)CC(C)/C=C(\C)/C=C/C(=O)C[C@H]1C2=COC(=CC2=CC(=O)[C@]1(C)O)[C@@H]3[C@H](C[C@H](CC3=O)O)C
Inchi: InChI=1S/C31H42O6/c1-7-18(2)10-20(4)11-19(3)8-9-23(32)15-26-25-17-37-28(13-22(25)14-29(35)31(26,6)36)30-21(5)12-24(33)16-27(30)34/h8-9,11,13-14,17-18,20-21,24,26,30,33,36H,7,10,12,15-16H2,1-6H3/b9-8+,19-11+/t18?,20?,21-,24+,26-,30+,31+/m0/s1
Inchikey: PZWVXQVKPAZYRZ-GIIUFEGQSA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
341	Chaetomium longirostre