CHEBI:184115 - Verrucarin j

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Verrucarin j
ChEBI ID CHEBI:184115
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O8
Net Charge 0
Average Mass 484.545
Monoisotopic Mass 484.20972
InChI InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5-,18-13+/t19-,20-,21-,25-,26-,27+/m1/s1
InChIKey GXCGYHWSYNQVHU-GYDJLPFWSA-N
SMILES O1[C@@]2([C@]3([C@@]45[C@](O[C@@]2(C[C@]3(OC(=O)C=CC=CC(OCCC(=CC(OC4)=O)C)=O)[H])[H])(C=C(CC5)C)[H])C)C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
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ChEBI Ontology
Outgoing Verrucarin j (CHEBI:184115) is a trichothecene (CHEBI:55517)
IUPAC Name
(1R,3R,8R,12E,18E,20Z,24R,25S,26S)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione
Manual Xref Database
10210057 ChemSpider
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