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CHEBI:199551 - Blennolide J

ChEBI IDCHEBI:199551
ChEBI NameBlennolide J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C[C@@](C(=O)OC)([C@H]4OC(=O)C[C@@H]4C)O5)c(O)c3C(O)=C1C(=O)C[C@@H](C)[C@@H]2O
InChIInChI=1S/C32H30O14/c1-12-9-16(33)23-26(38)22-19(46-32(23,27(12)39)30(41)43-4)8-6-15(25(22)37)14-5-7-18-21(24(14)36)17(34)11-31(45-18,29(40)42-3)28-13(2)10-20(35)44-28/h5-8,12-13,27-28,36-39H,9-11H2,1-4H3/t12-,13+,27+,28+,31+,32+/m1/s1
InChIKeyIRTSNPJRIJTNNN-PEBQPOLJSA-N
Species of MetaboliteComponentSourceComments
Setophoma (ncbitaxon:798159) - PubMed (25574154)
ChEBI Ontology
Outgoing Relation(s)
Blennolide J (CHEBI:199551) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (3R,4S,4aS)-4,8,9-trihydroxy-7-[(2S)-5-hydroxy-2-methoxycarbonyl-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-6-yl]-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Manual XrefsDatabases
78440051ChemSpider