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CHEBI:218588 - SQ-02-S-L1

ChEBI IDCHEBI:218588
ChEBI NameSQ-02-S-L1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H74N2O12
Net Charge0
Average Mass967.210
Monoisotopic Mass966.52418
SMILESCC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CN(CCCCC(C(=O)O)N4Cc6c(cc(O)c7c6O[C@@]68CC[C@H](OC(C)=O)C(C)(C)[C@@H]6CC[C@H](C)[C@@]8(C)C7)C4=O)C5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C
InChIInChI=1S/C56H74N2O12/c1-29-14-16-42-51(5,6)44(67-31(3)59)18-20-55(42)53(29,9)25-35-40(61)23-33-37(46(35)69-55)27-57(48(33)63)22-12-11-13-39(50(65)66)58-28-38-34(49(58)64)24-41(62)36-26-54(10)30(2)15-17-43-52(7,8)45(68-32(4)60)19-21-56(43,54)70-47(36)38/h23-24,29-30,39,42-45,61-62H,11-22,25-28H2,1-10H3,(H,65,66)/t29-,30-,39?,42-,43-,44-,45-,53+,54+,55-,56-/m0/s1
InChIKeyMAVPMSYXHOEOLG-CBOQOVJRSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (12014438)
ChEBI Ontology
Outgoing Relation(s)
SQ-02-S-L1 (CHEBI:218588) is a xanthenes (CHEBI:38835)
IUPAC Name 
2,6-bis[(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]hexanoic acid
Manual XrefsDatabases
9171861ChemSpider