CHEBI:200124 - Maculalactone K

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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 Maculalactone K
ChEBI ID CHEBI:200124
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000064512333
Download Molfile XML SDF
Formula C34H28O6
Net Charge 0
Average Mass 532.592
Monoisotopic Mass 532.18859
InChI InChI=1S/C34H28O6/c35-28-21-27(24-15-7-2-8-16-24)33-29(25-17-9-3-10-18-25)39-34(33,32(28,38)26-19-11-4-12-20-26)31(37,30(36)40-33)22-23-13-5-1-6-14-23/h1-20,27,29,37-38H,21-22H2/t27-,29-,31-,32-,33+,34-/m0/s1
InChIKey GFAMJDLEQYJMPF-DLMDRUJCSA-N
SMILES O=C1[C@@](O)(C2=CC=CC=C2)[C@]34O[C@@H](C5=CC=CC=C5)[C@]3(OC([C@@]4(O)CC6=CC=CC=C6)=O)[C@@H](C1)C7=CC=CC=C7
Metabolite of Species Details
Kyrtuthrix (NCBI:txid1906669) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing Maculalactone K (CHEBI:200124) is a diarylheptanoid (CHEBI:78802)
IUPAC Name
(1R,2R,5S,6R,9R,11S)-9-benzyl-2,9-dihydroxy-2,5,11-triphenyl-7,10-dioxatricyclo[4.3.2.01,6]undecane-3,8-dione
Manual Xref Database
78440068 ChemSpider
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