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CHEBI:200283 - Maculalactone I

ChEBI IDCHEBI:200283
ChEBI NameMaculalactone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30O6
Net Charge0
Average Mass534.608
Monoisotopic Mass534.20424
SMILESO=C1O[C@@]23[C@H](c4ccccc4)C[C@@H](O)[C@@](O)(c4ccccc4)[C@@]2(O[C@H]3c2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C34H30O6/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/h1-20,27-29,35,37-38H,21-22H2/t27-,28+,29-,31-,32-,33+,34-/m0/s1
InChIKeyWLKKMDMOHWGGMV-QLMQZALKSA-N
Species of MetaboliteComponentSourceComments
Kyrtuthrix (ncbitaxon:1906669) - PubMed (9548830)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Maculalactone I (CHEBI:200283) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(1R,2S,3R,5S,6R,9R,11S)-9-benzyl-2,3,9-trihydroxy-2,5,11-triphenyl-7,10-dioxatricyclo[4.3.2.01,6]undecan-8-one
Manual XrefsDatabases
78440075ChemSpider