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CHEBI:227449 - Paradictyoarthrin B

ChEBI IDCHEBI:227449
ChEBI NameParadictyoarthrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESCOc1cc(O)c2c(c1)C(=O)[C@@]13C[C@](C)(O)[C@@H](O)[C@@H](O)[C@@]1(O3)C2=O
InChIInChI=1S/C16H16O8/c1-14(22)5-15-10(18)7-3-6(23-2)4-8(17)9(7)11(19)16(15,24-15)13(21)12(14)20/h3-4,12-13,17,20-22H,5H2,1-2H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyUCEZSAYKHGKFBH-QRJUGERDSA-N
Species of MetaboliteComponentSourceComments
Paradictyoarthrinium (ncbitaxon:1088017) - PubMed (25407145)
ChEBI Ontology
Outgoing Relation(s)
Paradictyoarthrin B (CHEBI:227449) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,10R,12S,13S,14R)-4,12,13,14-tetrahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
Manual XrefsDatabases
35517007ChemSpider