EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211878 - Tremulenediol C

ChEBI IDCHEBI:211878
ChEBI NameTremulenediol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILESCC1=C2[C@@H](CC(C)(C)[C@H]2O)[C@@H](C)CC[C@@H]1CO
InChIInChI=1S/C15H26O2/c1-9-5-6-11(8-16)10(2)13-12(9)7-15(3,4)14(13)17/h9,11-12,14,16-17H,5-8H2,1-4H3/t9-,11+,12-,14-/m0/s1
InChIKeyXFJROLBQWOPDSD-TWJQMWNJSA-N
Species of MetaboliteComponentSourceComments
Phellinus tremulae (ncbitaxon:108899) - DOI (10.1021/jo00078a035)
ChEBI Ontology
Outgoing Relation(s)
Tremulenediol C (CHEBI:211878) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1R,3aS,4S,7S)-7-(hydroxymethyl)-2,2,4,8-tetramethyl-3,3a,4,5,6,7-hexahydro-1H-azulen-1-ol
Manual XrefsDatabases
8642157ChemSpider