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CHEBI:203005 - Fischerindoline

ChEBI IDCHEBI:203005
ChEBI NameFischerindoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N2O6
Net Charge0
Average Mass510.631
Monoisotopic Mass510.27299
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)c3ccccc3N(C)[C@H]2N1
InChIInChI=1S/C29H38N2O6/c1-15(2)19-12-11-17(4)29(35)21(19)13-16(3)24(36-18(5)32)25(29)37-26(33)22-14-28(34)20-9-7-8-10-23(20)31(6)27(28)30-22/h7-10,13,17,19,21-22,24-25,27,30,34-35H,1,11-12,14H2,2-6H3/t17-,19+,21-,22+,24-,25+,27-,28-,29-/m1/s1
InChIKeyJVCPFZFQXUZUMV-KLSGDAIGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - DOI (10.1016/j.tet.2013.06.031)
ChEBI Ontology
Outgoing Relation(s)
Fischerindoline (CHEBI:203005) 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)-8b-hydroxy-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole-2-carboxylate
Manual XrefsDatabases
29784836ChemSpider