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CHEBI:202293 - Terreolide E

ChEBI IDCHEBI:202293
ChEBI NameTerreolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
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]1[C@@H](O)C=C1CCOC1=O
InChIInChI=1S/C30H44O8/c1-18-7-9-21(26(2,3)23(18)22(31)15-20-12-14-35-24(20)32)10-8-19-11-13-30(36-16-19)28(6)17-29(34,25(33)37-30)27(4,5)38-28/h15,19,21-23,31,34H,1,7-14,16-17H2,2-6H3/t19-,21-,22-,23+,28-,29-,30-/m0/s1
InChIKeyOLFGZHOCXGOCCT-VMDYULFMSA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Terreolide E (CHEBI:202293) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,4S,5S,5'S)-1-hydroxy-5'-[2-[(1R,3S)-3-[(1S)-1-hydroxy-2-(2-oxooxolan-3-ylidene)ethyl]-2,2-dimethyl-4-methylidenecyclohexyl]ethyl]-5,7,7-trimethylspiro[3,6-dioxabicyclo[3.2.1]octane-4,2'-oxane]-2-one
Manual XrefsDatabases
78440883ChemSpider