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CHEBI:204462 - Phomolactonexanthone B

ChEBI IDCHEBI:204462
ChEBI NamePhomolactonexanthone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H34O14
Net Charge0
Average Mass666.632
Monoisotopic Mass666.19486
SMILESCC(=O)OC[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](OC(C)=O)[C@@]3(CO)O4)c2O)O1
InChIInChI=1S/C34H34O14/c1-14-9-20(38)27-30(43)26-23(48-34(27,12-35)32(14)45-17(4)37)8-6-19(29(26)42)18-5-7-22-25(28(18)41)21(39)11-33(47-22,13-44-16(3)36)31-15(2)10-24(40)46-31/h5-8,14-15,31-32,35,41-43H,9-13H2,1-4H3/t14-,15-,31-,32-,33+,34+/m1/s1
InChIKeyBPFIQZRITWQDSC-ZVJNKPFLSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies HNY29-2B (ncbitaxon:1418122) - PubMed (24335522)
ChEBI Ontology
Outgoing Relation(s)
Phomolactonexanthone B (CHEBI:204462) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2S)-6-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-5-hydroxy-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-2-yl]methyl acetate
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