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CHEBI:198497 - Tetrahydrotrichodimerol

ChEBI IDCHEBI:198497
ChEBI NameTetrahydrotrichodimerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O8
Net Charge0
Average Mass500.588
Monoisotopic Mass500.24102
SMILESC/C=C/CCC(=O)C1=C(O)[C@@]2(C)C3C(C(=O)CC/C=C/C)=C(O)[C@@]4(C)C1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O
InChIInChI=1S/C28H36O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-10,19-20,31-34H,11-14H2,1-6H3/b9-7+,10-8+/t19?,20?,23-,24-,25+,26+,27-,28-/m1/s1
InChIKeyOBZQDMLNHGGQSV-CAVKXZEMSA-N
Species of MetaboliteComponentSourceComments
Penicillium terrestre (ncbitaxon:374132) - PubMed (16392677)
ChEBI Ontology
Outgoing Relation(s)
Tetrahydrotrichodimerol (CHEBI:198497) is a oxacycle (CHEBI:38104)
IUPAC Name 
(E)-1-[(1R,3S,7R,8R,10S,14R)-12-[(E)-hex-4-enoyl]-1,6,8,13-tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradeca-5,12-dien-5-yl]hex-4-en-1-one
Manual XrefsDatabases
78436362ChemSpider