EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223496 - 7-deoxy-squalestatin H5

Default Structure
ChEBI IDCHEBI:223496
ChEBI Name7-deoxy-squalestatin H5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O10
Net Charge0
Average Mass464.467
Monoisotopic Mass464.16825
SMILESC/C(=C\C(C)Cc1ccccc1)CC[C@@]12C[C@@H](O)[C@@](C(=O)O)(O1)[C@](O)(C(=O)O)[C@@H](C(=O)O)O2
InChIInChI=1S/C23H28O10/c1-13(10-14(2)11-15-6-4-3-5-7-15)8-9-21-12-16(24)23(33-21,20(29)30)22(31,19(27)28)17(32-21)18(25)26/h3-7,10,14,16-17,24,31H,8-9,11-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)/b13-10+/t14?,16-,17-,21+,22-,23+/m1/s1
InChIKeyZRXQCQNNNZXCOQ-FJNSQNCQSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies C2932 (ncbitaxon:86977) - PubMed (8071119)
ChEBI Ontology
Outgoing Relation(s)
7-deoxy-squalestatin H5 (CHEBI:223496) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3S,4S,5R,6R)-1-[(E)-3,5-dimethyl-6-phenylhex-3-enyl]-4,6-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual XrefsDatabases
78439812ChemSpider