CHEBI:211552 - 8-hydroxypregaliellalactone B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 8-hydroxypregaliellalactone B
ChEBI ID CHEBI:211552
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H16O3
Net Charge 0
Average Mass 196.246
Monoisotopic Mass 196.10994
InChI InChI=1S/C11H16O3/c1-3-5-6-8-7-9(10(12)4-2)11(13)14-8/h3,7-8,10,12H,1,4-6H2,2H3/t8-,10?/m0/s1
InChIKey HGZDGKOKKUFJII-PEHGTWAWSA-N
SMILES O=C1O[C@@H](CCC=C)C=C1C(O)CC
Metabolite of Species Details
Phoma (NCBI:txid37463) See: PubMed
ChEBI Ontology
Outgoing 8-hydroxypregaliellalactone B (CHEBI:211552) is a butenolide (CHEBI:50523)
IUPAC Name
(2S)-2-but-3-enyl-4-(1-hydroxypropyl)-2H-uran-5-one
Manual Xref Database
79715307 ChemSpider
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