CHEBI:200935 - Botryolide C

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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 Botryolide C
ChEBI ID CHEBI:200935
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O6
Net Charge 0
Average Mass 268.265
Monoisotopic Mass 268.09469
InChI InChI=1S/C13H16O6/c1-7-4-10-9(18-10)2-3-13(6-11(15)17-7)5-8(14)12(16)19-13/h2-3,7-10,14H,4-6H2,1H3/b3-2-/t7-,8-,9-,10+,13-/m1/s1
InChIKey MPBXBRPXWNZKJE-VPHIQXKFSA-N
SMILES O=C1O[C@@H](C[C@@H]2O[C@@H]2C=C[C@@]3(C1)OC(=O)[C@@H](C3)O)C
Metabolite of Species Details
Botryotrichum (NCBI:txid1934360) See: PubMed
ChEBI Ontology
Outgoing Botryolide C (CHEBI:200935) is a γ-lactone (CHEBI:37581)
IUPAC Name
(1S,3R,3'R,7R,8Z,10R)-3'-hydroxy-3-methylspiro[4,11-dioxabicyclo[8.1.0]undec-8-ene-7,5'-oxolane]-2',5-dione
Manual Xref Database
78440093 ChemSpider
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