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CHEBI:227240 - Blennolide H

ChEBI IDCHEBI:227240
ChEBI NameBlennolide H
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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)C[C@@](C(=O)OC)([C@@H]3OC(=O)C[C@H]3C)O4)c2O)O1
InChIInChI=1S/C32H30O14/c1-13-9-21(35)43-27(13)31(29(39)41-3)11-17(33)23-19(45-31)7-5-15(25(23)37)16-6-8-20-24(26(16)38)18(34)12-32(46-20,30(40)42-4)28-14(2)10-22(36)44-28/h5-8,13-14,27-28,37-38H,9-12H2,1-4H3/t13-,14-,27-,28-,31+,32+/m1/s1
InChIKeyOYMCWIDGOVGEEJ-LARRGFROSA-N
Species of MetaboliteComponentSourceComments
Setophoma (ncbitaxon:798159) - PubMed (25574154)
ChEBI Ontology
Outgoing Relation(s)
Blennolide H (CHEBI:227240) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-methoxycarbonyl-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-6-yl]-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromene-2-carboxylate