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CHEBI:204035 - Botryaloic acid

ChEBI IDCHEBI:204035
ChEBI NameBotryaloic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O5
Net Charge0
Average Mass284.352
Monoisotopic Mass284.16237
SMILESC[C@@H]1C[C@H](O)[C@H]2C(C)(C)C[C@](C)(C(=O)O)[C@@]2(O)[C@H]1C=O
InChIInChI=1S/C15H24O5/c1-8-5-10(17)11-13(2,3)7-14(4,12(18)19)15(11,20)9(8)6-16/h6,8-11,17,20H,5,7H2,1-4H3,(H,18,19)/t8-,9+,10+,11+,14-,15-/m1/s1
InChIKeyVBXAFEYVTZXMPM-RCJNEMEQSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium tuberculosis (ncbitaxon:1773) - DOI (10.1039/p19800000741)
ChEBI Ontology
Outgoing Relation(s)
Botryaloic acid (CHEBI:204035) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1S,3aR,4S,6R,7S,7aS)-7-ormyl-4,7a-dihydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroindene-1-carboxylic acid
Manual XrefsDatabases
78443492ChemSpider