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CHEBI:212706 - Leptosphaerin J

ChEBI IDCHEBI:212706
ChEBI NameLeptosphaerin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O11
Net Charge0
Average Mass514.483
Monoisotopic Mass514.14751
SMILESCOc1cc(O)c2c(c1COCc1c(OC)cc(O)c3c1[C@](C)(C(C)=O)OC3=O)[C@](C)(C(C)=O)OC2=O
InChIInChI=1S/C26H26O11/c1-11(27)25(3)21-13(17(33-5)7-15(29)19(21)23(31)36-25)9-35-10-14-18(34-6)8-16(30)20-22(14)26(4,12(2)28)37-24(20)32/h7-8,29-30H,9-10H2,1-6H3/t25-,26-/m0/s1
InChIKeySXSLHHHASKFGQM-UIOOFZCWSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeria (ncbitaxon:5021) - PubMed (28661451)
ChEBI Ontology
Outgoing Relation(s)
Leptosphaerin J (CHEBI:212706) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-3-acetyl-4-[[(3R)-3-acetyl-7-hydroxy-5-methoxy-3-methyl-1-oxo-2-benzouran-4-yl]methoxymethyl]-7-hydroxy-5-methoxy-3-methyl-2-benzouran-1-one
Manual XrefsDatabases
62233311ChemSpider