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CHEBI:225803 - Hisunic acid

ChEBI IDCHEBI:225803
ChEBI NameHisunic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESCC1=C(CO)[C@H](C)[C@](C)(O)[C@]1(C)CC/C(C)=C/C(=O)O
InChIInChI=1S/C16H26O4/c1-10(8-14(18)19)6-7-15(4)11(2)13(9-17)12(3)16(15,5)20/h8,12,17,20H,6-7,9H2,1-5H3,(H,18,19)/b10-8+/t12-,15+,16-/m0/s1
InChIKeyUFVJSNUROFSAJQ-ZVXBELEGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27599764)
ChEBI Ontology
Outgoing Relation(s)
Hisunic acid (CHEBI:225803) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(E)-5-[(1R,4S,5S)-5-hydroxy-3-(hydroxymethyl)-1,2,4,5-tetramethylcyclopent-2-en-1-yl]-3-methylpent-2-enoic acid
Manual XrefsDatabases
78441580ChemSpider