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CHEBI:226122 - Penibishexahydroxanthone A

ChEBI IDCHEBI:226122
ChEBI NamePenibishexahydroxanthone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O16
Net Charge0
Average Mass670.576
Monoisotopic Mass670.15338
SMILESCOC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)[C@@]4(O)C(=O)C[C@H](C)[C@@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)[C@@]1(O)C(=O)C[C@H](C)[C@H]2O
InChIInChI=1S/C32H30O16/c1-11-9-17(33)29(43)25(39)19-15(47-31(29,23(11)37)27(41)45-3)7-5-13(21(19)35)14-6-8-16-20(22(14)36)26(40)30(44)18(34)10-12(2)24(38)32(30,48-16)28(42)46-4/h5-8,11-12,23-24,35-38,43-44H,9-10H2,1-4H3/t11-,12-,23+,24+,29-,30-,31+,32+/m0/s1
InChIKeyWWGNTYDCMKIJLE-MMXSNILFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2019.04.034)
ChEBI Ontology
Outgoing Relation(s)
Penibishexahydroxanthone A (CHEBI:226122) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (3S,4R,4aS,9aS)-7-[(5R,6S,8aS,10aS)-1,5,8a-trihydroxy-10a-methoxycarbonyl-6-methyl-8,9-dioxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9a-trihydroxy-3-methyl-1,9-dioxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Manual XrefsDatabases
77001449ChemSpider