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CHEBI:205740 - (+)-cochlearoid P

ChEBI IDCHEBI:205740
ChEBI Name(+)-cochlearoid P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H46O8
Net Charge0
Average Mass642.789
Monoisotopic Mass642.31927
SMILESC=C(C)[C@H]1CC[C@]2(C(=O)OCC)C[C@]13Oc1cc(C/C=C(/CC/C=C(\C)CCC=C(C)C)C(=O)O)c(O)cc1-c1c(O)ccc(c13)O2
InChIInChI=1S/C39H46O8/c1-7-45-37(44)38-19-18-29(24(4)5)39(22-38)35-32(46-38)17-16-30(40)34(35)28-21-31(41)27(20-33(28)47-39)15-14-26(36(42)43)13-9-12-25(6)11-8-10-23(2)3/h10,12,14,16-17,20-21,29,40-41H,4,7-9,11,13,15,18-19,22H2,1-3,5-6H3,(H,42,43)/b25-12+,26-14-/t29-,38-,39+/m1/s1
InChIKeyAXCFVOYLKCXFOU-LNLVONGESA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (29985069)
ChEBI Ontology
Outgoing Relation(s)
(+)-cochlearoid P (CHEBI:205740) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2Z,5E)-2-[2-[(1S,2R,5R)-5-ethoxycarbonyl-10,14-dihydroxy-2-prop-1-en-2-yl-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12(17),13,15-hexaen-15-yl]ethylidene]-6,10-dimethylundeca-5,9-dienoic acid