CHEBI:214728 - Speciosin A

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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 Speciosin A
ChEBI ID CHEBI:214728
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H8O3
Net Charge 0
Average Mass 176.171
Monoisotopic Mass 176.04734
InChI InChI=1S/C10H8O3/c1-2-3-6-10-8(12)5-4-7(11)9(10)13-10/h2,4-5,7,9,11H,1H2/t7-,9+,10-/m0/s1
InChIKey AXIMRAFIBNWUDM-SFGNSQDASA-N
SMILES O=C1C=C[C@H](O)[C@@H]2[C@]1(O2)C#CC=C
Metabolite of Species Details
Hexagonia (NCBI:txid114778) See: PubMed
ChEBI Ontology
Outgoing Speciosin A (CHEBI:214728) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1R,5S,6R)-1-but-3-en-1-ynyl-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual Xref Database
28288328 ChemSpider
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