EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226029 - Oudemansin I

ChEBI IDCHEBI:226029
ChEBI NameOudemansin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILESCOC=C(C(=O)OC)[C@H](C)[C@H](C=Cc1ccc2c(c1)OC(C)(C)[C@@H](O)CO2)OC
InChIInChI=1S/C22H30O7/c1-14(16(12-25-4)21(24)27-6)17(26-5)9-7-15-8-10-18-19(11-15)29-22(2,3)20(23)13-28-18/h7-12,14,17,20,23H,13H2,1-6H3/t14-,17-,20-/m0/s1
InChIKeyYEMQBUJKFITSJS-VHFSOBRXSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (32193929)
ChEBI Ontology
Outgoing Relation(s)
Oudemansin I (CHEBI:226029) is a styrenes (CHEBI:26799)
IUPAC Name 
methyl (3S,4S)-6-[(3S)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]-4-methoxy-2-(methoxymethylidene)-3-methylhex-5-enoate