CHEBI:221647 - Botryosphaerilactone 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 Botryosphaerilactone B
ChEBI ID CHEBI:221647
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22O5
Net Charge 0
Average Mass 270.325
Monoisotopic Mass 270.14672
InChI InChI=1S/C14H22O5/c1-7-12(10(4)19-13(7)16)6-18-14-8(2)11(5-17-14)9(3)15/h7-8,10-12,14H,5-6H2,1-4H3/t7-,8-,10+,11+,12-,14+/m0/s1
InChIKey QBYSXXFQLGDNCX-DDQFFZQOSA-N
SMILES O=C1O[C@H](C)[C@H]([C@@H]1C)CO[C@H]2OC[C@H]([C@@H]2C)C(=O)C
Metabolite of Species Details
Botryosphaeria (NCBI:txid45132) See: DOI
ChEBI Ontology
Outgoing Botryosphaerilactone B (CHEBI:221647) is a γ-lactone (CHEBI:37581)
IUPAC Name
(3S,4R,5R)-4-[[(2S,3S,4S)-4-acetyl-3-methyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one
Manual Xref Database
78438226 ChemSpider
View more database links