CHEBI:210594 - Dahliane F

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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 Dahliane F
ChEBI ID CHEBI:210594
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-12(2)18-20(27-13(3)24)19(26)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10,12,18-20,23,26H,6-9,11H2,1-5H3/t18-,19-,20-,21-,22-/m0/s1
InChIKey BEMZAUOOVKSYLX-YFNVTMOMSA-N
SMILES O=C1C(=C2C=C3[C@]([C@@H](C(C)C)[C@@H]([C@H]3O)OC(=O)C)(C)CC[C@]2(C)CC1)CO
Metabolite of Species Details
Verticillium dahliae (NCBI:txid27337) See: PubMed
ChEBI Ontology
Outgoing Dahliane F (CHEBI:210594) is a cyclohexenones (CHEBI:48953)
IUPAC Name
[(1S,2S,3R,3aR,5aR)-1-hydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-8-oxo-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-2-yl] acetate