CHEBI:204161 - 15alpha-methoxy-O-methyldihydrobotrydial

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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 15alpha-methoxy-O-methyldihydrobotrydial
ChEBI ID CHEBI:204161
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H32O6
Net Charge 0
Average Mass 356.459
Monoisotopic Mass 356.21989
InChI InChI=1S/C19H32O6/c1-10-8-12(24-11(2)20)14-17(3,4)9-18(5)16(23-7)25-15(22-6)13(10)19(14,18)21/h10,12-16,21H,8-9H2,1-7H3/t10-,12+,13-,14+,15+,16+,18-,19-/m1/s1
InChIKey UVJBMYJHRMQRSJ-IHFWDFRQSA-N
SMILES O=C(O[C@@H]1[C@@H]2[C@@]3(O)[C@]([C@H](O[C@@H]([C@H]3[C@@H](C1)C)OC)OC)(C)CC2(C)C)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing 15alpha-methoxy-O-methyldihydrobotrydial (CHEBI:204161) is a oxanes (CHEBI:46942)
IUPAC Name
[(1R,4S,5S,7S,8S,9R,11S,12S)-12-hydroxy-5,7-dimethoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Manual Xref Database
8983502 ChemSpider
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