CHEBI:216461 - Opaliferin

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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 Opaliferin
ChEBI ID CHEBI:216461
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O6
Net Charge 0
Average Mass 352.427
Monoisotopic Mass 352.18859
InChI InChI=1S/C19H28O6/c1-10(20)3-5-15-14(22)9-19(24-15)8-12-17(25-19)7-13(21)18(12)16-6-4-11(2)23-16/h10-12,14-15,17,20,22H,3-9H2,1-2H3/b18-16+/t10-,11-,12+,14+,15+,17+,19+/m1/s1
InChIKey JACPLNLRQCNGQJ-FACFEIAPSA-N
SMILES O=C1/C(=C\2/O[C@H](C)CC2)/[C@H]3C[C@]4(O[C@@H](CC[C@H](O)C)[C@H](C4)O)O[C@H]3C1
Metabolite of Species Details
Cordycepsspecies NBRC 106954 (NCBI:txid1472367) See: PubMed
ChEBI Ontology
Outgoing Opaliferin (CHEBI:216461) is a ketal (CHEBI:59777)
IUPAC Name
(2R,3aR,4E,4'S,5'S,6aS)-4'-hydroxy-5'-[(3R)-3-hydroxybutyl]-4-[(5R)-5-methyloxolan-2-ylidene]spiro[3,3a,6,6a-tetrahydrocyclopenta[b]uran-2,2'-oxolane]-5-one
Manual Xref Database
34452037 ChemSpider
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