Myrotoxin A

Formula: C27H32O9
Molecular weight: 500.50
Smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC(=CCC=CC(=O)OC6C3(C7(CO7)C(C6)O2)C)C5O
Type: Trichothecene

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Myrotoxin A

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Myrotoxin A
First synonym: None
Synonyms: Myrotoxin A,CHEBI:214574,(1R,3S,7R,16S,17R,20Z,23Z)-28-hydroxy-10,16-dimethylspiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-4,19-dione

Smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC(=CCC=CC(=O)OC6C3(C7(CO7)C(C6)O2)C)C5O
Isomeric smiles: CC1=CC2[C@@]3(CC1)COC(=O)[C@@H]4[C@@]5(O4)CCO/C(=C\C/C=C\C(=O)O[C@H]6[C@]3(C7(CO7)C(C6)O2)C)/C5O
Inchi: InChI=1S/C27H32O9/c1-15-7-8-25-13-32-23(30)22-26(36-22)9-10-31-16(21(26)29)5-3-4-6-20(28)35-17-12-19(34-18(25)11-15)27(14-33-27)24(17,25)2/h4-6,11,17-19,21-22,29H,3,7-10,12-14H2,1-2H3/b6-4-,16-5-/t17-,18?,19?,21?,22-,24-,25-,26-,27?/m1/s1
Inchikey: MYFXYOGWMOARGF-WAUMHQIXSA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
658	Myrothecium verrucaria