CHEBI:198444 - Hapalindole F

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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 F
ChEBI ID CHEBI:198444
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23ClN2S
Net Charge 0
Average Mass 370.940
Monoisotopic Mass 370.12705
InChI InChI=1S/C21H23ClN2S/c1-5-21(4)18(22)10-15(13(2)3)19(20(21)24-12-25)16-11-23-17-9-7-6-8-14(16)17/h5-9,11,15,18-20,23H,1-2,10H2,3-4H3/t15-,18-,19+,20-,21+/m0/s1
InChIKey GRQUFNAGGOBDNI-FARZLIQASA-N
SMILES Cl[C@@H]1[C@@](C=C)([C@@H](N=C=S)[C@@H](C=2C3=C(C=CC=C3)NC2)[C@@H](C1)C(=C)C)C
Metabolite of Species Details
Hapalosiphon (NCBI:txid162985) See: DOI
ChEBI Ontology
Outgoing Hapalindole F (CHEBI:198444) is a monoterpenoid (CHEBI:25409)
IUPAC Name
3-[(1R,2S,3S,4S,6R)-4-chloro-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole
Manual Xref Database
78442457 ChemSpider
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