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CHEBI:188089 - Tomentolide A

ChEBI IDCHEBI:188089
ChEBI NameTomentolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O5
Net Charge0
Average Mass402.446
Monoisotopic Mass402.14672
SMILESC[C@@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)C(=O)[C@@H]1C
InChIInChI=1S/C25H22O5/c1-13-14(2)28-24-19-17(15-8-6-5-7-9-15)12-18(26)29-22(19)16-10-11-25(3,4)30-23(16)20(24)21(13)27/h5-14H,1-4H3/t13-,14+/m1/s1
InChIKeyJCKXVEVCXNXGQW-KGLIPLIRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Tomentolide A (CHEBI:188089) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
(10S,11R)-10,11,16,16-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,13,17-pentaene-4,12-dione
Manual XrefsDatabases
24843125ChemSpider
LMPK12100026LIPID MAPS