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CHEBI:206783 - 6-deoxy-squalestatin H5

Default Structure
ChEBI IDCHEBI:206783
ChEBI Name6-deoxy-squalestatin H5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O10
Net Charge0
Average Mass464.467
Monoisotopic Mass464.16825
SMILESC/C(=C\C(C)Cc1ccccc1)CC[C@@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@@](C(=O)O)(C[C@H]1O)O2
InChIInChI=1S/C23H28O10/c1-13(10-14(2)11-15-6-4-3-5-7-15)8-9-22-16(24)12-21(33-22,19(27)28)23(31,20(29)30)17(32-22)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
InChIKeyZYVFCWVERNZCTQ-CZXSIKFVSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies C2932 (ncbitaxon:86977) - PubMed (8071119)
ChEBI Ontology
Outgoing Relation(s)
6-deoxy-squalestatin H5 (CHEBI:206783) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3S,4S,5R,7R)-1-[(E)-3,5-dimethyl-6-phenylhex-3-enyl]-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
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