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CHEBI:227370 - Hapalindolinone A

ChEBI IDCHEBI:227370
ChEBI NameHapalindolinone A
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SubmitterMetaboLights
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FormulaC21H21ClN2O
Net Charge0
Average Mass352.865
Monoisotopic Mass352.13424
SMILESC=C[C@]1(C)[C@@H](Cl)C[C@@H](C(=C)C)[C@H]2[C@]1(C#N)[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C21H21ClN2O/c1-5-19(4)16(22)10-13(12(2)3)17-20(19,11-23)21(17)14-8-6-7-9-15(14)24-18(21)25/h5-9,13,16-17H,1-2,10H2,3-4H3,(H,24,25)/t13-,16-,17-,19+,20-,21+/m0/s1
InChIKeyCLXKBATYSCEAQF-ZEHUYGQASA-N
Species of MetaboliteComponentSourceComments
Fischerella (ncbitaxon:1190) - DOI (10.1021/jo00392a045)
ChEBI Ontology
Outgoing Relation(s)
Hapalindolinone A (CHEBI:227370) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1'S,2'S,3R,3'S,5'R,6'S)-3'-chloro-2'-ethenyl-2'-methyl-2-oxo-5'-prop-1-en-2-ylspiro[1H-indole-3,7'-bicyclo[4.1.0]heptane]-1'-carbonitrile
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