CHEBI:222085 - A-O-Methyldihydrobotrydialone

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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 A-O-Methyldihydrobotrydialone
ChEBI ID CHEBI:222085
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H28O6
Net Charge 0
Average Mass 340.416
Monoisotopic Mass 340.18859
InChI InChI=1S/C18H28O6/c1-9-7-11(23-10(2)19)13-16(3,4)8-17(5)15(20)24-14(22-6)12(9)18(13,17)21/h9,11-14,21H,7-8H2,1-6H3/t9-,11+,12-,13+,14-,17-,18-/m1/s1
InChIKey GOGNSPHNRCZEML-RIVVHQBZSA-N
SMILES O=C1O[C@@H](OC)[C@H]2[C@@H](C[C@@H]([C@@H]3[C@]2([C@@]1(CC3(C)C)C)O)OC(=O)C)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: DOI
ChEBI Ontology
Outgoing A-O-Methyldihydrobotrydialone (CHEBI:222085) is a δ-lactone (CHEBI:18946)
IUPAC Name
[(1R,4S,7R,8S,9R,11S,12S)-12-hydroxy-7-methoxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Manual Xref Database
78442665 ChemSpider
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