EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203109 - 6,7-dideoxy-squalestatin H5

Default Structure
ChEBI IDCHEBI:203109
ChEBI Name6,7-dideoxy-squalestatin H5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O9
Net Charge0
Average Mass448.468
Monoisotopic Mass448.17333
SMILESC/C(=C\C(C)Cc1ccccc1)CC[C@@]12CC[C@@](C(=O)O)(O1)[C@](O)(C(=O)O)[C@@H](C(=O)O)O2
InChIInChI=1S/C23H28O9/c1-14(12-15(2)13-16-6-4-3-5-7-16)8-9-21-10-11-22(32-21,19(26)27)23(30,20(28)29)17(31-21)18(24)25/h3-7,12,15,17,30H,8-11,13H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/b14-12+/t15?,17-,21+,22+,23-/m1/s1
InChIKeyOGZGHCQBWIVONK-NSAMSFTNSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies C2932 (ncbitaxon:86977) - PubMed (8071119)
ChEBI Ontology
Outgoing Relation(s)
6,7-dideoxy-squalestatin H5 (CHEBI:203109) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3S,4S,5R)-1-[(E)-3,5-dimethyl-6-phenylhex-3-enyl]-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual XrefsDatabases
78439651ChemSpider