CHEBI:214839 - Hapalindole O

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hapalindole O
ChEBI ID CHEBI:214839
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24N2OS
Net Charge 0
Average Mass 352.500
Monoisotopic Mass 352.16093
InChI InChI=1S/C21H24N2OS/c1-5-21(4)16(24)9-14-18(19(21)23-11-25)12-10-22-15-8-6-7-13(17(12)15)20(14,2)3/h5-8,10,14,16,18-19,22,24H,1,9H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1
InChIKey NUQRVLVXINMDRL-DJNKVENRSA-N
SMILES S=C=N[C@H]1[C@@](C=C)([C@H](O)C[C@H]2[C@@H]1C=3C4=C(C=CC=C4NC3)C2(C)C)C
Metabolite of Species Details
Hapalosiphon (NCBI:txid162985) See: DOI
ChEBI Ontology
Outgoing Hapalindole O (CHEBI:214839) is a indoles (CHEBI:24828)
IUPAC Name
(2R,3R,4R,5R,7S)-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraen-5-ol
Manual Xref Database
8558830 ChemSpider
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