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CHEBI:227488 - Botryosulfuranol C

ChEBI IDCHEBI:227488
ChEBI NameBotryosulfuranol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16N2O6S2
Net Charge0
Average Mass432.479
Monoisotopic Mass432.04498
SMILESCN1C(=O)[C@@]23SS[C@H]4c5ccccc5O[C@]41C(=O)N2O[C@]1(CCC=CC1=O)[C@H]3O
InChIInChI=1S/C19H16N2O6S2/c1-20-16(25)19-14(23)17(9-5-4-8-12(17)22)27-21(19)15(24)18(20)13(28-29-19)10-6-2-3-7-11(10)26-18/h2-4,6-8,13-14,23H,5,9H2,1H3/t13-,14+,17-,18-,19+/m0/s1
InChIKeyVOUCYTUBFKLYLN-AQQQZIQISA-N
Species of MetaboliteComponentSourceComments
Cophinforma mamane (ncbitaxon:144557) - PubMed (30576967)
ChEBI Ontology
Outgoing Relation(s)
Botryosulfuranol C (CHEBI:227488) has functional parent α-amino acid (CHEBI:33704)
Botryosulfuranol C (CHEBI:227488) is a organonitrogen compound (CHEBI:35352)
Botryosulfuranol C (CHEBI:227488) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,9S,12R,13R,14R)-13-hydroxy-18-methylspiro[2,15-dioxa-10,11-dithia-16,18-diazapentacyclo[10.5.2.01,9.03,8.012,16]nonadeca-3,5,7-triene-14,6'-cyclohex-2-ene]-1',17,19-trione