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CHEBI:202243 - Chrysolandol

ChEBI IDCHEBI:202243
ChEBI NameChrysolandol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O9
Net Charge0
Average Mass354.311
Monoisotopic Mass354.09508
SMILESCOc1cc(O)cc2c1C(=O)C1(O)[C@@H](O)[C@H](O)[C@](C)(O)CC1(O)C2=O
InChIInChI=1S/C16H18O9/c1-14(22)5-15(23)10(18)7-3-6(17)4-8(25-2)9(7)11(19)16(15,24)13(21)12(14)20/h3-4,12-13,17,20-24H,5H2,1-2H3/t12-,13-,14+,15?,16?/m0/s1
InChIKeyLCDOLKBYHYLJIC-QJUBBFGZSA-N
Species of MetaboliteComponentSourceComments
Chrysosporium queenslandicum (ncbitaxon:264361) - PubMed (12523825)
ChEBI Ontology
Outgoing Relation(s)
Chrysolandol (CHEBI:202243) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,2S,3R)-1,2,3,4a,6,9a-hexahydroxy-8-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Manual XrefsDatabases
9985021ChemSpider