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CHEBI:215321 - Paraphaeosphaeride A

ChEBI IDCHEBI:215321
ChEBI NameParaphaeosphaeride A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO6S
Net Charge0
Average Mass367.423
Monoisotopic Mass367.10896
SMILESCCCCC[C@@H]1OC2=C(C(=O)N3C(C(=O)O)=CSC[C@H]23)C(=O)[C@@]1(C)O
InChIInChI=1S/C17H21NO6S/c1-3-4-5-6-11-17(2,23)14(19)12-13(24-11)9-7-25-8-10(16(21)22)18(9)15(12)20/h8-9,11,23H,3-7H2,1-2H3,(H,21,22)/t9-,11+,17+/m1/s1
InChIKeyGLOXYNJNKIDEIR-NVTQBHAOSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - PubMed (26107089)
ChEBI Ontology
Outgoing Relation(s)
Paraphaeosphaeride A (CHEBI:215321) has functional parent α-amino acid (CHEBI:33704)
Paraphaeosphaeride A (CHEBI:215321) is a organonitrogen compound (CHEBI:35352)
Paraphaeosphaeride A (CHEBI:215321) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4S,5S)-5-hydroxy-5-methyl-6,8-dioxo-4-pentyl-3-oxa-12-thia-9-azatricyclo[7.4.0.02,7]trideca-2(7),10-diene-10-carboxylic acid
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35000190ChemSpider