CHEBI:208108 - (+)-3,4-Anhydroshikimic acid methyl este

ChEBI IDCHEBI:208108
ChEBI Name(+)-3,4-Anhydroshikimic acid methyl este
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESCOC(=O)C1=C[C@H]2O[C@H]2[C@H](O)C1
InChIInChI=1S/C8H10O4/c1-11-8(10)4-2-5(9)7-6(3-4)12-7/h3,5-7,9H,2H2,1H3/t5-,6-,7+/m1/s1
InChIKeyLHPOIQVOXOVXFQ-QYNIQEEDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(01)92975-2)
ChEBI Ontology
Outgoing Relation(s)
(+)-3,4-Anhydroshikimic acid methyl este (CHEBI:208108) is a enoate ester (CHEBI:51702)
IUPAC Name 
methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate
Manual XrefsDatabases
300795ChemSpider