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CHEBI:205746 - (-)-cochlearoid N

ChEBI IDCHEBI:205746
ChEBI Name(-)-cochlearoid N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H48O7
Net Charge0
Average Mass628.806
Monoisotopic Mass628.34000
SMILESC=C(C)[C@H]1CC[C@]2(C(=O)OCC)C[C@]13Oc1c(C/C=C(\CO)CC/C=C(\C)CCC=C(C)C)cc(O)cc1-c1c(O)ccc(c13)O2
InChIInChI=1S/C39H48O7/c1-7-44-37(43)38-19-18-31(25(4)5)39(23-38)35-33(45-38)17-16-32(42)34(35)30-21-29(41)20-28(36(30)46-39)15-14-27(22-40)13-9-12-26(6)11-8-10-24(2)3/h10,12,14,16-17,20-21,31,40-42H,4,7-9,11,13,15,18-19,22-23H2,1-3,5-6H3/b26-12+,27-14-/t31-,38-,39+/m1/s1
InChIKeyBZZZJJOXKWAEPR-UPESYBHUSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (29985069)
ChEBI Ontology
Outgoing Relation(s)
(-)-cochlearoid N (CHEBI:205746) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
ethyl (1S,2R,5R)-10,14-dihydroxy-16-[(2Z,6E)-3-(hydroxymethyl)-7,11-dimethyldodeca-2,6,10-trienyl]-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-hexaene-5-carboxylate