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CHEBI:229192 - Picrocrocinic acid

ChEBI IDCHEBI:229192
ChEBI NamePicrocrocinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O8
Net Charge0
Average Mass346.376
Monoisotopic Mass346.16277
SMILESCC1=C(C(=O)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1
InChIInChI=1S/C16H26O8/c1-7-4-8(5-16(2,3)10(7)14(21)22)23-15-13(20)12(19)11(18)9(6-17)24-15/h8-9,11-13,15,17-20H,4-6H2,1-3H3,(H,21,22)/t8-,9-,11-,12+,13-,15-/m1/s1
InChIKeyLBTAFDHXNSPZSZ-QLDIZCGWSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Picrocrocinic acid (CHEBI:229192) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylic acid