CHEBI:210668 - Cyafricanin B

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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 Cyafricanin B
ChEBI ID CHEBI:210668
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O5
Net Charge 0
Average Mass 366.498
Monoisotopic Mass 366.24062
InChI InChI=1S/C21H34O5/c1-11(2)16-15(25-5)9-19(3)6-7-20(4)13(17(16)19)8-14-12(10-22)18(23)21(20,24)26-14/h11-15,18,22-24H,6-10H2,1-5H3/t12-,13+,14+,15-,18+,19-,20+,21+/m0/s1
InChIKey LNOVVADOOMBUOP-RPKDIVBTSA-N
SMILES O1[C@@]2(O)[C@]3([C@@H](C4=C([C@@H](OC)C[C@]4(C)CC3)C(C)C)C[C@@H]1[C@H](CO)[C@H]2O)C
Metabolite of Species Details
Cyathus africanus (NCBI:txid380649) See: PubMed
ChEBI Ontology
Outgoing Cyafricanin B (CHEBI:210668) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2R,5S,7S,10R,12R,13R,14R)-13-(hydroxymethyl)-7-methoxy-2,5-dimethyl-8-propan-2-yl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadec-8-ene-1,14-diol