CHEBI:212310 - 7-deoxybotrylactone

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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 7-deoxybotrylactone
ChEBI ID CHEBI:212310
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22O4
Net Charge 0
Average Mass 254.326
Monoisotopic Mass 254.15181
InChI InChI=1S/C14H22O4/c1-8-6-12(3)10-9(2)11(15)17-14(5,16-10)13(4,7-8)18-12/h8-10H,6-7H2,1-5H3/t8-,9+,10-,12-,13+,14+/m0/s1
InChIKey VKWTYPKGZHWHNM-KIFSPZJUSA-N
SMILES O=C1O[C@]2(O[C@@H]([C@H]1C)[C@@]3(C[C@@H](C[C@]2(O3)C)C)C)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: DOI
ChEBI Ontology
Outgoing 7-deoxybotrylactone (CHEBI:212310) is a ketal (CHEBI:59777)
IUPAC Name
(1R,2R,5R,6S,7S,9S)-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one