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CHEBI:206175 - Hapalindolinone B

ChEBI IDCHEBI:206175
ChEBI NameHapalindolinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O
Net Charge0
Average Mass318.420
Monoisotopic Mass318.17321
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)[C@H]2[C@]1(C#N)[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C21H22N2O/c1-5-19(4)11-10-14(13(2)3)17-20(19,12-22)21(17)15-8-6-7-9-16(15)23-18(21)24/h5-9,14,17H,1-2,10-11H2,3-4H3,(H,23,24)/t14-,17-,19+,20-,21+/m0/s1
InChIKeyOIBWFYOBXWQXKY-UBFQGWSASA-N
Species of MetaboliteComponentSourceComments
Fischerella (ncbitaxon:1190) - DOI (10.1021/jo00392a045)
ChEBI Ontology
Outgoing Relation(s)
Hapalindolinone B (CHEBI:206175) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1'R,2'S,3R,5'R,6'S)-2'-ethenyl-2'-methyl-2-oxo-5'-prop-1-en-2-ylspiro[1H-indole-3,7'-bicyclo[4.1.0]heptane]-1'-carbonitrile
Manual XrefsDatabases
78440450ChemSpider