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CHEBI:216613 - (-)-cochlearoid Q

ChEBI IDCHEBI:216613
ChEBI Name(-)-cochlearoid Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H44O8
Net Charge0
Average Mass628.762
Monoisotopic Mass628.30362
SMILESC=C(C)[C@H]1CC[C@]2(C(=O)OC)C[C@]13Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C(=O)O)cc(O)cc1-c1c(O)ccc(c13)O2
InChIInChI=1S/C38H44O8/c1-22(2)9-7-10-24(5)11-8-12-25(35(41)42)13-14-26-19-27(39)20-28-32-30(40)15-16-31-33(32)38(46-34(26)28)21-37(45-31,36(43)44-6)18-17-29(38)23(3)4/h9,11,13,15-16,19-20,29,39-40H,3,7-8,10,12,14,17-18,21H2,1-2,4-6H3,(H,41,42)/t29-,37-,38+/m1/s1
InChIKeyCOYTTWFFTMZTSQ-IFRUKKDFSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (30037018)
ChEBI Ontology
Outgoing Relation(s)
(-)-cochlearoid Q (CHEBI:216613) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[2-[(1S,2R,5R)-10,14-dihydroxy-5-methoxycarbonyl-2-prop-1-en-2-yl-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12,14,16-hexaen-16-yl]ethylidene]-6,10-dimethylundeca-5,9-dienoic acid