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CHEBI:218001 - Petchiether B

ChEBI IDCHEBI:218001
ChEBI NamePetchiether B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESC/C1=C\CC/C(C(=O)O)=C/Cc2cc(O)ccc2OC(C)(C)[C@H](O)CC1
InChIInChI=1S/C21H28O5/c1-14-5-4-6-15(20(24)25)8-9-16-13-17(22)10-11-18(16)26-21(2,3)19(23)12-7-14/h5,8,10-11,13,19,22-23H,4,6-7,9,12H2,1-3H3,(H,24,25)/b14-5+,15-8-/t19-/m1/s1
InChIKeyLIVMTRFKKMBYGG-AHHKOANESA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - DOI (10.1016/j.phytol.2016.08.013)
ChEBI Ontology
Outgoing Relation(s)
Petchiether B (CHEBI:218001) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(4R,7E,11Z)-4,16-dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.4.0]octadeca-1(14),7,11,15,17-pentaene-11-carboxylic acid
Manual XrefsDatabases
78443475ChemSpider