CHEBI:188849 - (+)-Boronolide

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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 (+)-Boronolide
ChEBI ID CHEBI:188849
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H26O8
Net Charge 0
Average Mass 370.398
Monoisotopic Mass 370.16277
InChI InChI=1S/C18H26O8/c1-5-6-8-14(23-11(2)19)17(24-12(3)20)18(25-13(4)21)15-9-7-10-16(22)26-15/h7,10,14-15,17-18H,5-6,8-9H2,1-4H3/t14-,15-,17-,18+/m0/s1
InChIKey BRBSZFBUFZWHCT-UOVPBQLFSA-N
SMILES O([C@H]([C@H](OC(=O)C)[C@]1(OC(=O)C=CC1)[H])[C@@H](OC(=O)C)CCCC)C(=O)C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-Boronolide (CHEBI:188849) is a carboxylic acid (CHEBI:33575)
IUPAC Name
[(1R,2S,3S)-1,2-diacetyloxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]heptan-3-yl] acetate