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CHEBI:204961 - Hydrogrammic acid

ChEBI IDCHEBI:204961
ChEBI NameHydrogrammic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O4
Net Charge0
Average Mass260.289
Monoisotopic Mass260.10486
SMILESCC1=C(C(=O)O)[C@H]2C=C(C=O)[C@]3(C=O)C[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H16O4/c1-8-3-11-10(12(8)13(18)19)4-9(5-16)15(7-17)6-14(11,15)2/h4-5,7,10-11H,3,6H2,1-2H3,(H,18,19)/t10-,11-,14+,15+/m0/s1
InChIKeyYUNUPXLLGHNNNK-UOVKNHIHSA-N
Species of MetaboliteComponentSourceComments
Singerocybe phaeophthalma (ncbitaxon:230769) - DOI (10.1016/s0031-9422(97)00406-8)
ChEBI Ontology
Outgoing Relation(s)
Hydrogrammic acid (CHEBI:204961) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1aS,3aS,6aS,6bR)-1a,2-diormyl-5,6b-dimethyl-1,3a,6,6a-tetrahydrocyclopropa[e]indene-4-carboxylic acid
Manual XrefsDatabases
8834345ChemSpider