EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219004 - Annulohypoxyboverin

ChEBI IDCHEBI:219004
ChEBI NameAnnulohypoxyboverin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCCCCCC(O)[C@@H]1C(=O)O[C@]2(C)C(=O)C3=C(COC3=O)C[C@@H]12
InChIInChI=1S/C17H22O6/c1-3-4-5-6-11(18)13-10-7-9-8-22-15(20)12(9)14(19)17(10,2)23-16(13)21/h10-11,13,18H,3-8H2,1-2H3/t10-,11?,13+,17-/m0/s1
InChIKeySJUFOMYLBOLGSF-VQKHSSNJSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon (ncbitaxon:326606) - DOI (10.1007/s10600-011-9990-5)
ChEBI Ontology
Outgoing Relation(s)
Annulohypoxyboverin (CHEBI:219004) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3R,3aS,8aS)-3-(1-hydroxyhexyl)-8a-methyl-3,3a,4,5-tetrahydrouro[3,4-][1]benzouran-2,7,8-trione
Manual XrefsDatabases
28289167ChemSpider