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CHEBI:198769 - Terreolide D

ChEBI IDCHEBI:198769
ChEBI NameTerreolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILESC=C1CC[C@@H](CC[C@H]2CC[C@]3(OC2)OC(=O)[C@@]2(O)C[C@]3(C)OC2(C)C)C(C)(C)[C@H]1CC=C1CCOC1=O
InChIInChI=1S/C30H44O7/c1-19-7-10-22(26(2,3)23(19)12-9-21-14-16-34-24(21)31)11-8-20-13-15-30(35-17-20)28(6)18-29(33,25(32)36-30)27(4,5)37-28/h9,20,22-23,33H,1,7-8,10-18H2,2-6H3/t20-,22-,23-,28-,29-,30-/m0/s1
InChIKeyFJNJPTOXWIZSBH-WHTDQAGASA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Terreolide D (CHEBI:198769) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,4S,5S,5'S)-5'-[2-[(1R,3S)-2,2-dimethyl-4-methylidene-3-[2-(2-oxooxolan-3-ylidene)ethyl]cyclohexyl]ethyl]-1-hydroxy-5,7,7-trimethylspiro[3,6-dioxabicyclo[3.2.1]octane-4,2'-oxane]-2-one