EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199228 - Hirsutenol D

ChEBI IDCHEBI:199228
ChEBI NameHirsutenol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESC=C1C(=O)C[C@@]2(O)[C@H](O)C3=C([C@H](O)C(C)(C)C3=O)[C@@]12C
InChIInChI=1S/C15H18O5/c1-6-7(16)5-15(20)11(18)8-9(14(6,15)4)12(19)13(2,3)10(8)17/h11-12,18-20H,1,5H2,2-4H3/t11-,12+,14-,15-/m1/s1
InChIKeyJFWLAFHHNSFQBT-AYRXBEOTSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (16629412)
ChEBI Ontology
Outgoing Relation(s)
Hirsutenol D (CHEBI:199228) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,4S,7R,7aS)-4,7,7a-trihydroxy-3a,5,5-trimethyl-3-methylidene-4,7-dihydro-1H-cyclopenta[a]pentalene-2,6-dione
Manual XrefsDatabases
9812427ChemSpider