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CHEBI:217347 - Asperdichrome

ChEBI IDCHEBI:217347
ChEBI NameAsperdichrome
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@@]12Oc3ccc(Oc4cccc5c4C(O)=C4C(=O)C[C@H](C)[C@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(O)=C1C(=O)C[C@H](C)[C@H]2O
InChIInChI=1S/C32H30O14/c1-12-10-14(33)22-25(36)20-16(6-5-7-17(20)45-31(22,27(12)38)29(40)42-3)44-19-9-8-18-21(24(19)35)26(37)23-15(34)11-13(2)28(39)32(23,46-18)30(41)43-4/h5-9,12-13,27-28,35-39H,10-11H2,1-4H3/t12-,13-,27-,28+,31+,32+/m0/s1
InChIKeyZWKHHTDRHMFWDL-RHBKKXGBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2015.12.111)
ChEBI Ontology
Outgoing Relation(s)
Asperdichrome (CHEBI:217347) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (3S,4R,4aR)-7-[[(5S,6S,10aR)-5,9-dihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-1-yl]oxy]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
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78437579ChemSpider