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CHEBI:226302 - Phosteoid A

ChEBI IDCHEBI:226302
ChEBI NamePhosteoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESC[C@H]([C@H]1OC(C)(C)[C@@H](C)[C@@H]1O)[C@H]1CCC2=C(CC(=O)O)C(=O)CC[C@@]21C
InChIInChI=1S/C21H32O5/c1-11(19-18(25)12(2)20(3,4)26-19)14-6-7-15-13(10-17(23)24)16(22)8-9-21(14,15)5/h11-12,14,18-19,25H,6-10H2,1-5H3,(H,23,24)/t11-,12-,14+,18-,19+,21+/m0/s1
InChIKeyCTPKIBJHXRLFDR-IJPHBKGRSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tetlet.2019.151555)
ChEBI Ontology
Outgoing Relation(s)
Phosteoid A (CHEBI:226302) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
2-[(1R,7aR)-1-[(1S)-1-[(2R,3S,4S)-3-hydroxy-4,5,5-trimethyloxolan-2-yl]ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-4-yl]acetic acid
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101935349ChemSpider