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CHEBI:183933 - NCGC00169011-01

ChEBI IDCHEBI:183933
ChEBI NameNCGC00169011-01
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO4
Net Charge0
Average Mass385.504
Monoisotopic Mass385.22531
SMILESC[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O
InChIInChI=1S/C23H31NO4/c1-12-5-6-17-21(2,3)18(26)7-8-22(17,4)23(12)10-14-16(25)9-13-15(19(14)28-23)11-24-20(13)27/h9,12,17-18,25-26H,5-8,10-11H2,1-4H3,(H,24,27)/t12-,17?,18-,22+,23-/m1/s1
InChIKeyZSVLMDBFFSSVAK-WJYWFEJASA-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)
NCGC00169011-01 (CHEBI:183933) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-uro[2,3-e]isoindole]-6'-one
Manual XrefsDatabases
22842374ChemSpider