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CHEBI:191477 - Isolimonic acid

ChEBI IDCHEBI:191477
ChEBI NameIsolimonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O10
Net Charge0
Average Mass506.548
Monoisotopic Mass506.21520
SMILESCC1(C)OC[C@]2(C(O)CC(=O)O)C1CC(=O)[C@]1(C)C2CC[C@@](C)([C@@H](O)c2ccoc2)[C@@]12O[C@@H]2C(=O)O
InChIInChI=1S/C26H34O10/c1-22(2)15-9-16(27)24(4)14(25(15,12-35-22)17(28)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/t14?,15?,17?,19-,20+,23-,24-,25+,26+/m0/s1
InChIKeyJSDNZHXBKWCZDG-RWQHKGFASA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Isolimonic acid (CHEBI:191477) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(2'S,5aR,6R,7S,9bR)-9b-(2-carboxy-1-hydroxyethyl)-7-[(S)-uran-3-yl(hydroxy)methyl]-3,3,5a,7-tetramethyl-5-oxospiro[1,3a,4,8,9,9a-hexahydrobenzo[e][2]benzouran-6,3'-oxirane]-2'-carboxylic acid
Manual XrefsDatabases
35014526ChemSpider
HMDB0038170HMDB