EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227462 - Acremeremophilane A

ChEBI IDCHEBI:227462
ChEBI NameAcremeremophilane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC=C(C(=O)O)[C@@H]1C[C@@]2(C)C(=CC1=O)C=C[C@H](O)[C@@H]2C
InChIInChI=1S/C15H18O4/c1-8(14(18)19)11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)17/h4-6,9,11-12,16H,1,7H2,2-3H3,(H,18,19)/t9-,11-,12-,15+/m0/s1
InChIKeyPSBUPTRMQGNIJB-AVNXNWIJSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (26928174)
ChEBI Ontology
Outgoing Relation(s)
Acremeremophilane A (CHEBI:227462) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2S,7S,8R,8aR)-7-hydroxy-8,8a-dimethyl-3-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid
Manual XrefsDatabases
58196717ChemSpider