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CHEBI:225849 - SQ-02-S-L2

ChEBI IDCHEBI:225849
ChEBI NameSQ-02-S-L2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44N2O7
Net Charge0
Average Mass556.700
Monoisotopic Mass556.31485
SMILESCC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CN(CCCCC(N)C(=O)O)C5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C
InChIInChI=1S/C31H44N2O7/c1-17-9-10-24-29(3,4)25(39-18(2)34)11-12-31(24)30(17,5)15-20-23(35)14-19-21(26(20)40-31)16-33(27(19)36)13-7-6-8-22(32)28(37)38/h14,17,22,24-25,35H,6-13,15-16,32H2,1-5H3,(H,37,38)/t17-,22?,24-,25-,30+,31-/m0/s1
InChIKeyLHSJSAOGNVDOMR-VTYVEQPFSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (12014438)
ChEBI Ontology
Outgoing Relation(s)
SQ-02-S-L2 (CHEBI:225849) is a xanthenes (CHEBI:38835)
IUPAC Name 
6-[(1S,13R,14S,17S,19S)-19-acetyloxy-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-6-yl]-2-aminohexanoic acid
Manual XrefsDatabases
9203273ChemSpider