CHEBI:211205 - Coniellin H

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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 Coniellin H
ChEBI ID CHEBI:211205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28O7
Net Charge 0
Average Mass 416.470
Monoisotopic Mass 416.18350
InChI InChI=1S/C23H28O7/c1-5-6-7-8-12-16-17(25)15(21(27)29-4)18-22(3,28)19(26)13(10-24)14-9-11(2)30-20(12)23(14,16)18/h9-10,12,15-16,18,20,28H,5-8H2,1-4H3/t12-,15+,16+,18+,20+,22+,23-/m0/s1
InChIKey XAHOFHHJQNUHFY-KXIWCRNYSA-N
SMILES O=C1C(=C2C=C(O[C@H]3[C@]24[C@@H](C([C@H]([C@@H]4[C@]1(O)C)C(=O)OC)=O)[C@@H]3CCCCC)C)C=O
Metabolite of Species Details
Coniella fragariae (NCBI:txid1125743) See: PubMed
ChEBI Ontology
Outgoing Coniellin H (CHEBI:211205) is a monoterpenoid (CHEBI:25409)
IUPAC Name
methyl (1S,3S,4S,5R,12R,13S,14R)-7-ormyl-5-hydroxy-5,10-dimethyl-2,6-dioxo-13-pentyl-11-oxatetracyclo[6.5.1.04,14.012,14]tetradeca-7,9-diene-3-carboxylate