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CHEBI:206752 - Luteoalbusin A

ChEBI IDCHEBI:206752
ChEBI NameLuteoalbusin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O3S2
Net Charge0
Average Mass464.572
Monoisotopic Mass464.09768
SMILESCN1C(=O)[C@@]23C[C@]4(c5cnc6ccccc56)c5ccccc5N[C@@H]4N2C(=O)[C@]1(CO)SS3
InChIInChI=1S/C23H20N4O3S2/c1-26-19(29)22-11-21(15-10-24-16-8-4-2-6-13(15)16)14-7-3-5-9-17(14)25-18(21)27(22)20(30)23(26,12-28)32-31-22/h2-10,18,24-25,28H,11-12H2,1H3/t18-,21-,22+,23+/m1/s1
InChIKeyXHPIWHHLWCZQEF-QQUTXWOLSA-N
Species of MetaboliteComponentSourceComments
Acrostalagmus (ncbitaxon:461148) - PubMed (23079524)
ChEBI Ontology
Outgoing Relation(s)
Luteoalbusin A (CHEBI:206752) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,3S,11R,14S)-14-(hydroxymethyl)-3-(1H-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Manual XrefsDatabases
28533884ChemSpider