Dehydroaustin

Formula: C27H30O9
Molecular weight: 498.50
Smiles: CC1C23C(=O)OC4(C(C5(O2)C(=C)C6(CCC5(C3(C4=C)C(=O)O1)C)C=CC(=O)OC6(C)C)OC(=O)C)C
Type: Isoprenoid D

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Dehydroaustin

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Dehydroaustin
First synonym: None
Synonyms: Dehydroaustin,VFK6EA69NQ,UNII-VFK6EA69NQ,82893-35-4,Spiro(1H,4H,8H-3a,7a-epoxy-6,11b-methano-3H-furo(3,4-e)(3)benzoxocin-9(10H),3'(6'H)-(2H)pyran)-1,4,6'-trione, 7-(acetyloxy)-6,7,11,11a-tetrahydro-2',2',3,6,11a-pentamethyl-8,12-bis(methylene)-, (3R,3'R,3aR,6S,7R,7aR,11aR,11bS)-,AUSTIN, 19,34-DIDEHYDRO-12-DEOXY-12,18-EPOXY-18,19-DIHYDRO-, (18.BETA.)-,(3S,3'S,3AS,6R,7S,7AS,11AS,11BR)-7-(ACETYLOXY)-6,7,11,11A-TETRAHYDRO-2',2',3,6,11A-PENTAMETHYL-8,12-BIS(METHYLENE)SPIRO(1H,4H,8H-3A,7A-EPOXY-6,11B-METHANO-3H-FURO(3,4-E)(3)BENZOXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE,[(1R,2S,5S,7S,8S,9R,12S,13S)-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3'-pyran]-8-yl] acetate,SPIRO(1H,4H,8H-3A,7A-EPOXY-6,11B-METHANO-3H-FURO(3,4-E)(3)BENZOXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 7-(ACETYLOXY)-6,7,11,11A-TETRAHYDRO-2',2',3,6,11A-PENTAMETHYL-8,12-BIS(METHYLENE)-, (3S,3'S,3AS,6R,7S,7AS,11AS,11BR)-,((1R,2S,5S,7S,8S,9R,12S,13S)-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxospiro(10,14,17-trioxapentacyclo(7.6.1.17,12.01,12.02,7)heptadecane-5,3'-pyran)-8-yl) acetate,CHEBI:203878,Q27896867,AUSTIN, 19,34-DIDEHYDRO-12-DEOXY-12,18-EPOXY-18,19-DIHYDRO-, (18BETA)-

Smiles: CC1C23C(=O)OC4(C(C5(O2)C(=C)C6(CCC5(C3(C4=C)C(=O)O1)C)C=CC(=O)OC6(C)C)OC(=O)C)C
Isomeric smiles: C[C@H]1[C@@]23C(=O)O[C@]4([C@@H]([C@]5(O2)C(=C)[C@]6(CC[C@]5([C@@]3(C4=C)C(=O)O1)C)C=CC(=O)OC6(C)C)OC(=O)C)C
Inchi: InChI=1S/C27H30O9/c1-13-23(8)18(33-16(4)28)26-14(2)24(10-9-17(29)34-21(24,5)6)12-11-22(26,7)25(13)19(30)32-15(3)27(25,36-26)20(31)35-23/h9-10,15,18H,1-2,11-12H2,3-8H3/t15-,18-,22-,23+,24+,25+,26+,27-/m0/s1
Inchikey: UMCNDSVRNDMSEX-DVMWOTGCSA-N

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Fungi id	Species
279	Aspergillus ustus