CHEBI:218001 - Petchiether B

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ChEBI Name Petchiether B
ChEBI ID CHEBI:218001
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H28O5
Net Charge 0
Average Mass 360.450
Monoisotopic Mass 360.19367
InChI InChI=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
InChIKey LIVMTRFKKMBYGG-AHHKOANESA-N
SMILES O=C(O)C1=CCC2=C(OC([C@H](O)CCC(=CCC1)C)(C)C)C=CC(=C2)O
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78443475 ChemSpider
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