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CHEBI:227479 - Botryosulfuranol A

ChEBI IDCHEBI:227479
ChEBI NameBotryosulfuranol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O6S2
Net Charge0
Average Mass462.549
Monoisotopic Mass462.09193
SMILESCS[C@H]1c2ccccc2O[C@]12C(=O)N1O[C@]3(CCC=CC3=O)[C@@H](O)[C@@]1(SC)C(=O)N2C
InChIInChI=1S/C21H22N2O6S2/c1-22-18(27)21(31-3)16(25)19(11-7-6-10-14(19)24)29-23(21)17(26)20(22)15(30-2)12-8-4-5-9-13(12)28-20/h4-6,8-10,15-16,25H,7,11H2,1-3H3/t15-,16+,19-,20-,21+/m0/s1
InChIKeyFWQZEHMYXPCCOA-CEDHKZHLSA-N
Species of MetaboliteComponentSourceComments
Cophinforma mamane (ncbitaxon:144557) - PubMed (30576967)
ChEBI Ontology
Outgoing Relation(s)
Botryosulfuranol A (CHEBI:227479) has functional parent α-amino acid (CHEBI:33704)
Botryosulfuranol A (CHEBI:227479) is a organonitrogen compound (CHEBI:35352)
Botryosulfuranol A (CHEBI:227479) is a organooxygen compound (CHEBI:36963)