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CHEBI:219906 - Terreolide A

ChEBI IDCHEBI:219906
ChEBI NameTerreolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILESC=C1CC[C@@H](CC[C@H]2CC[C@]3(OC2)O[C@H]2C[C@]3(C)OC(C)(C)C2=O)C(C)(C)[C@H]1[C@@H](O)C=C1CCOC1=O
InChIInChI=1S/C30H44O7/c1-18-7-9-21(27(2,3)24(18)22(31)15-20-12-14-34-26(20)33)10-8-19-11-13-30(35-17-19)29(6)16-23(36-30)25(32)28(4,5)37-29/h15,19,21-24,31H,1,7-14,16-17H2,2-6H3/t19-,21-,22-,23-,24+,29-,30-/m0/s1
InChIKeyVOJVJZFJUZJOOZ-MPYFTPQYSA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Terreolide A (CHEBI:219906) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,5S,5'S,7S)-5'-[2-[(1R,3S)-3-[(1S)-1-hydroxy-2-(2-oxooxolan-3-ylidene)ethyl]-2,2-dimethyl-4-methylidenecyclohexyl]ethyl]-1,3,3-trimethylspiro[2,6-dioxabicyclo[3.2.1]octane-7,2'-oxane]-4-one
Manual XrefsDatabases
78441178ChemSpider