CHEBI:191395 - butyrolactone II

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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 butyrolactone II
ChEBI ID CHEBI:191395
Definition Major microspecies at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C19H16O7
Net Charge 0
Average Mass 356.330
Monoisotopic Mass 356.08960
InChI InChI=1S/C19H16O7/c1-25-18(24)19(10-11-2-6-13(20)7-3-11)15(16(22)17(23)26-19)12-4-8-14(21)9-5-12/h2-9,20-22H,10H2,1H3/t19-/m0/s1
InChIKey AEKPZNDJHWFONI-IBGZPJMESA-N
SMILES O1[C@@](CC2=CC=C(O)C=C2)(C(=C(O)C1=O)C3=CC=C(O)C=C3)C(OC)=O
ChEBI Ontology
Outgoing butyrolactone II (CHEBI:191395) is a butenolide (CHEBI:50523)
Synonym Source
butyrolactone II UniProt
Citation Waiting for Citations Type Source
28791090 PubMed citation SUBMITTER