Isororidin A

Formula: C29H40O9
Molecular weight: 532.60
Smiles: CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4)C(C)O
Type: Trichothecene

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Isororidin A

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Isororidin A
First synonym: None
Synonyms: Isororidin A,T7C9L3ZAP7,84773-08-0,Verrucarin A, 7'-deoxo-7'-((1S)-1-hydroxyethyl)-, (7'R)-,ISORORIDIN-A,ISORORIDIN A-,UNII-T7C9L3ZAP7,(1R,3R,8R,12S,13R,17R,18E,20E,24R,25S,26S)-12-HYDROXY-17-((1S)-1-HYDROXYETHYL)-5,13,25-TRIMETHYLSPIRO(2,10,16,23-TETRAOXATETRACYCLO(22.2.1.03,8.08,25)HEPTACOSA-4,18,20-TRIENE-26,2'-OXIRANE)-11,22-DIONE

Smiles: CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4)C(C)O
Isomeric smiles: C[C@@H]1CCO[C@H](/C=C/C=C/C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@H](C)O
Inchi: InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6+/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
Inchikey: NSFWWJIQIKBZMJ-AJCAISIOSA-N

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Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference
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Category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference
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Category	Sub category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference
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Endpoint	Tool	Value	Unit	Comments	Reference
No data available in table

Fungi id	Species
658	Myrothecium verrucaria