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CHEBI:211170 - Usneaxanthone D

ChEBI IDCHEBI:211170
ChEBI NameUsneaxanthone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H32O14
Net Charge0
Average Mass664.616
Monoisotopic Mass664.17921
SMILESCOC(=O)[C@@]12Oc3c(c(O)cc(C)c3-c3ccc4c(c3O)C(O)=C3C(=O)C[C@H](C)[C@H](O)[C@]3(C(=O)OC)O4)C(=O)C1=CCC[C@@H]2OC(C)=O
InChIInChI=1S/C34H32O14/c1-13-11-18(36)23-27(39)17-7-6-8-21(46-15(3)35)33(17,31(42)44-4)48-29(23)22(13)16-9-10-20-24(26(16)38)28(40)25-19(37)12-14(2)30(41)34(25,47-20)32(43)45-5/h7,9-11,14,21,30,36,38,40-41H,6,8,12H2,1-5H3/t14-,21-,30-,33+,34+/m0/s1
InChIKeySLBJWNMTYVRYBG-MKXLRJSXSA-N
Species of MetaboliteComponentSourceComments
Usnea aciculifera (ncbitaxon:142668) - PubMed (31175954)
ChEBI Ontology
Outgoing Relation(s)
Usneaxanthone D (CHEBI:211170) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (3S,4S,4aR)-7-[(5S,10aR)-5-acetyloxy-1-hydroxy-10a-methoxycarbonyl-3-methyl-9-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate