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CHEBI:204655 - Cochlearoid A

ChEBI IDCHEBI:204655
ChEBI NameCochlearoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H48O8
Net Charge0
Average Mass656.816
Monoisotopic Mass656.33492
SMILESC=C(C)[C@@H]1CC[C@@]2(C(=O)OC)C[C@@]13Oc1c(C/C=C(/CC/C=C(\C)CCC=C(C)C)COC(C)=O)cc(O)cc1-c1c(O)ccc(c13)O2
InChIInChI=1S/C40H48O8/c1-24(2)10-8-11-26(5)12-9-13-28(22-46-27(6)41)14-15-29-20-30(42)21-31-35-33(43)16-17-34-36(35)40(48-37(29)31)23-39(47-34,38(44)45-7)19-18-32(40)25(3)4/h10,12,14,16-17,20-21,32,42-43H,3,8-9,11,13,15,18-19,22-23H2,1-2,4-7H3/b26-12+,28-14-/t32-,39-,40+/m0/s1
InChIKeyFENJYNMETQOACE-ALVDNQAZSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (26024438)
ChEBI Ontology
Outgoing Relation(s)
Cochlearoid A (CHEBI:204655) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (1R,2S,5S)-16-[(2Z,6E)-3-(acetyloxymethyl)-7,11-dimethyldodeca-2,6,10-trienyl]-10,14-dihydroxy-2-prop-1-en-2-yl-6,18-dioxapentacyclo[9.7.1.11,5.07,19.012,17]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate
Manual XrefsDatabases
35143520ChemSpider