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CHEBI:205052 - (-)-blennolide G

ChEBI IDCHEBI:205052
ChEBI Name(-)-blennolide G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@@]1([C@@H]2OC(=O)C[C@H]2C)CC(=O)c2c(ccc(-c3ccc4c(c3O)C(=O)C3C(O)=C[C@@H](C)[C@@H](O)[C@@]3(C(=O)OC)O4)c2O)O1
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/h5-9,12-13,23,27-28,33,36-37,39H,10-11H2,1-4H3/t12-,13-,23?,27-,28-,31+,32+/m1/s1
InChIKeyBFIKZOULJLLGSJ-PYLXVLSBSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (25265160)
ChEBI Ontology
Outgoing Relation(s)
(-)-blennolide G (CHEBI:205052) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (3R,4R,4aS)-1,4,8-trihydroxy-7-[(2S)-5-hydroxy-2-methoxycarbonyl-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-6-yl]-3-methyl-9-oxo-4,9a-dihydro-3H-xanthene-4a-carboxylate
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