EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214795 - 11,12-dihydroxy-7beta-hydroperoxytremul-1(10)-ene

Default Structure
ChEBI IDCHEBI:214795
ChEBI Name11,12-dihydroxy-7beta-hydroperoxytremul-1(10)-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O4
Net Charge0
Average Mass270.369
Monoisotopic Mass270.18311
SMILESC[C@H]1CC[C@H](CO)[C@H](CO)C2=CC(C)(C)C[C@]21OO
InChIInChI=1S/C15H26O4/c1-10-4-5-11(7-16)12(8-17)13-6-14(2,3)9-15(10,13)19-18/h6,10-12,16-18H,4-5,7-9H2,1-3H3/t10-,11+,12-,15+/m0/s1
InChIKeyPMHPKACPFSSSGB-OZTPJHRESA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - DOI (10.1016/j.phytol.2014.10.019)
ChEBI Ontology
Outgoing Relation(s)
11,12-dihydroxy-7beta-hydroperoxytremul-1(10)-ene (CHEBI:214795) is a peroxol (CHEBI:35924)
IUPAC Name 
[(4S,5S,8S,8aR)-8a-hydroperoxy-4-(hydroxymethyl)-2,2,8-trimethyl-1,4,5,6,7,8-hexahydroazulen-5-yl]methanol
Manual XrefsDatabases
78442319ChemSpider