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CHEBI:183971 - 15-deoxy-goyazensolide

ChEBI IDCHEBI:183971
ChEBI Name15-deoxy-goyazensolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H45N3O9S
Net Charge0
Average Mass623.769
Monoisotopic Mass623.28765
SMILESCCCCC/C=C/C=C1/C(=O)CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C30H45N3O9S/c1-2-3-4-5-6-9-12-20-21(13-10-7-8-11-14-27(36)37)25(17-24(20)34)43-19-23(29(40)32-18-28(38)39)33-26(35)16-15-22(31)30(41)42/h6-7,9-10,12,21-23,25H,2-5,8,11,13-19,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b9-6+,10-7-,20-12+/t21-,22+,23+,25?/m1/s1
InChIKeyPJVSKAKTGJJITI-YPYHUWNQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
15-deoxy-goyazensolide (CHEBI:183971) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(2Z)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylprop-2-enoate