CHEBI:219226 - 7, 7-dimethoxybrefeldin 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 7, 7-dimethoxybrefeldin C
ChEBI ID CHEBI:219226
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H28O5
Net Charge 0
Average Mass 324.417
Monoisotopic Mass 324.19367
InChI InChI=1S/C18H28O5/c1-13-7-5-4-6-8-14-11-18(21-2,22-3)12-15(14)16(19)9-10-17(20)23-13/h6,8-10,13-16,19H,4-5,7,11-12H2,1-3H3/b8-6?,10-9+/t13-,14+,15+,16+/m0/s1
InChIKey BFWCKLCOKLLVJG-XEUBWOCBSA-N
SMILES O=C1O[C@H](CCCC=C[C@H]2[C@H]([C@@H](C=C1)O)CC(OC)(OC)C2)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 7, 7-dimethoxybrefeldin C (CHEBI:219226) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R,3E,7S,13S)-2-hydroxy-15,15-dimethoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one