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CHEBI:213711 - 7-chlorofischerindoline

ChEBI IDCHEBI:213711
ChEBI Name7-chlorofischerindoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37ClN2O6
Net Charge0
Average Mass545.076
Monoisotopic Mass544.23401
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@]2(O)[C@@H]1C=C(C)[C@@H](OC(C)=O)[C@@H]2OC(=O)[C@@H]1C[C@@]2(O)c3cccc(Cl)c3N(C)[C@H]2N1
InChIInChI=1S/C29H37ClN2O6/c1-14(2)18-11-10-16(4)29(36)20(18)12-15(3)24(37-17(5)33)25(29)38-26(34)22-13-28(35)19-8-7-9-21(30)23(19)32(6)27(28)31-22/h7-9,12,16,18,20,22,24-25,27,31,35-36H,1,10-11,13H2,2-6H3/t16-,18+,20-,22+,24-,25+,27-,28-,29-/m1/s1
InChIKeyGKEQMMXTQQREDM-AKQGTIOTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus hiratsukae (ncbitaxon:1194566) - PubMed (31982554)
ChEBI Ontology
Outgoing Relation(s)
7-chlorofischerindoline (CHEBI:213711) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2R,4aR,5R,8R,8aR)-2-acetyloxy-8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl] (2S,3aR,8bR)-5-chloro-8b-hydroxy-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole-2-carboxylate