CHEBI:188617 - 3-(2,6-Dibutylbenzyl)-6-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole

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ChEBI Name 3-(2,6-Dibutylbenzyl)-6-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole
ChEBI ID CHEBI:188617
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H37NO2S
Net Charge 0
Average Mass 487.700
Monoisotopic Mass 487.25450
InChI InChI=1S/C31H37NO2S/c1-5-7-10-25-12-9-13-26(11-8-6-2)30(25)21-27-22-32(31-20-24(4)16-19-29(27)31)35(33,34)28-17-14-23(3)15-18-28/h9,12-20,22H,5-8,10-11,21H2,1-4H3
InChIKey ZKFNUGVVUOTVDW-UHFFFAOYSA-N
SMILES S(=O)(=O)(N1C2=C(C(CC3=C(CCCC)C=CC=C3CCCC)=C1)C=CC(=C2)C)C4=CC=C(C=C4)C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 3-(2,6-Dibutylbenzyl)-6-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole (CHEBI:188617) is a sulfonamide (CHEBI:35358)
IUPAC Name
3-[(2,6-dibutylphenyl)methyl]-6-methyl-1-(4-methylphenyl)sulonylindole
Manual Xref Database
65326501 ChemSpider
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