CHEBI:210665 - Versicorin

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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 Versicorin
ChEBI ID CHEBI:210665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O4
Net Charge 0
Average Mass 294.391
Monoisotopic Mass 294.18311
InChI InChI=1S/C17H26O4/c1-11-9-12-5-6-15(2,19)16(3)14(12)13(10-11)21-17(16,20-4)7-8-18/h5-6,9,11,13-14,18-19H,7-8,10H2,1-4H3/t11-,13+,14-,15-,16-,17-/m1/s1
InChIKey BKKVQYQKBXOJNU-MYXGDXFVSA-N
SMILES O1[C@@](OC)([C@]2([C@](O)(C=CC=3[C@@H]2[C@@H]1C[C@H](C)C3)C)C)CCO
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Versicorin (CHEBI:210665) is a ketal (CHEBI:59777)
IUPAC Name
(1S,3R,4R,5R,10S,12S)-3-(2-hydroxyethyl)-3-methoxy-4,5,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-6,8-dien-5-ol
Manual Xref Database
78437965 ChemSpider
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