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CHEBI:183935 - NCGC00381123-01

ChEBI IDCHEBI:183935
ChEBI NameNCGC00381123-01
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO5
Net Charge0
Average Mass429.557
Monoisotopic Mass429.25152
SMILESC[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O
InChIInChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19?,20-,24+,25-/m1/s1
InChIKeyZHECNBLIOXZXBL-TVDJWTRXSA-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)
NCGC00381123-01 (CHEBI:183935) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3R,7R,8R,8aS)-3,4'-dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-6'-one
Manual XrefsDatabases
22842337ChemSpider