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CHEBI:207664 - Thomimarine C

ChEBI IDCHEBI:207664
ChEBI NameThomimarine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=CCC[C@@]2(C)CC[C@H]3C[C@@]12OC3(CO)CO
InChIInChI=1S/C15H24O3/c1-11-4-3-6-13(2)7-5-12-8-15(11,13)18-14(12,9-16)10-17/h4,12,16-17H,3,5-10H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyDIUAPTDOZSNEPF-KCQAQPDRSA-N
Species of MetaboliteComponentSourceComments
Penicillium thomii (ncbitaxon:36647) - DOI (10.1016/j.phytol.2015.10.011)
ChEBI Ontology
Outgoing Relation(s)
Thomimarine C (CHEBI:207664) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,6S,9S)-10-(hydroxymethyl)-2,6-dimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-10-yl]methanol
Manual XrefsDatabases
44210921ChemSpider