EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189352 - Annullatin C

ChEBI IDCHEBI:189352
ChEBI NameAnnullatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O4
Net Charge0
Average Mass294.391
Monoisotopic Mass294.18311
SMILES[H][C@@]1(C(C)(C)O)Oc2c(ccc(CCCCC)c2CO)[C@H]1O
InChIInChI=1S/C17H26O4/c1-4-5-6-7-11-8-9-12-14(19)16(17(2,3)20)21-15(12)13(11)10-18/h8-9,14,16,18-20H,4-7,10H2,1-3H3/t14-,16-/m1/s1
InChIKeyAYQCGQPGDCMRHR-GDBMZVCRSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Annullatin C (CHEBI:189352) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2R,3R)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-6-pentyl-2,3-dihydro-1-benzouran-3-ol
Manual XrefsDatabases
78436458ChemSpider