CHEBI:174470 - Heliespirone A

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ChEBI Name Heliespirone A
ChEBI ID CHEBI:174470
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O4
Net Charge 0
Average Mass 264.321
Monoisotopic Mass 264.13616
InChI InChI=1S/C15H20O4/c1-5-10-7-13(14(3,4)18)19-15(10)8-11(16)9(2)6-12(15)17/h5-6,10,13,18H,1,7-8H2,2-4H3/t10-,13-,15+/m0/s1
InChIKey MATQAMIEUDKYBO-VZJVUDMVSA-N
SMILES O1[C@@]2([C@H](C[C@]1(C(O)(C)C)[H])C=C)CC(=O)C(=CC2=O)C
ChEBI Ontology
Outgoing Heliespirone A (CHEBI:174470) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(2S,4R,5R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-8-methyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione
Manual Xref Database
47099659 ChemSpider
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Registry Number Type Source
202533-71-9 CAS Registry Number ChemIDplus