CHEBI:191397 - butyrolactone I

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 butyrolactone I
ChEBI ID CHEBI:191397
Definition The prenylated form of butyrolactone II; 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 C24H24O7
Net Charge 0
Average Mass 424.449
Monoisotopic Mass 424.15220
InChI InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m0/s1
InChIKey NGOLMNWQNHWEKU-DEOSSOPVSA-N
SMILES O1[C@@](CC2=CC=C(O)C(=C2)CC=C(C)C)(C(=C(O)C1=O)C3=CC=C(O)C=C3)C(OC)=O
ChEBI Ontology
Outgoing butyrolactone I (CHEBI:191397) is a butenolide (CHEBI:50523)
Synonym Source
butyrolactone I UniProt
Citation Waiting for Citations Type Source
28791090 PubMed citation SUBMITTER