CHEBI:216930 - Dysidphenol A

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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 Dysidphenol A
ChEBI ID CHEBI:216930
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O4
Net Charge 0
Average Mass 372.505
Monoisotopic Mass 372.23006
InChI InChI=1S/C23H32O4/c1-14-7-8-18-21(2,3)9-6-10-22(18,4)23(14)13-16-11-15(20(25)26-5)12-17(24)19(16)27-23/h11-12,14,18,24H,6-10,13H2,1-5H3/t14-,18+,22+,23+/m0/s1
InChIKey DEEMHJXPOBTJEP-LAHPKLRZSA-N
SMILES O=C(OC)C1=CC(O)=C2O[C@@]3(CC2=C1)[C@]4([C@@H](C(CCC4)(C)C)CC[C@@H]3C)C
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
ChEBI Ontology
Outgoing Dysidphenol A (CHEBI:216930) is a benzofurans (CHEBI:35259)
IUPAC Name
methyl (4aR,7S,8R,8aR)-7'-hydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-5'-carboxylate
Manual Xref Database
58197112 ChemSpider
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