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CHEBI:216065 - 4-hydroxypleurogrisein

ChEBI IDCHEBI:216065
ChEBI Name4-hydroxypleurogrisein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESCC(C)(O)[C@H]1CC[C@]23CC4=C(C[C@H]2[C@@](O)(CO)CC[C@@H]13)C(=O)C=CC4=O
InChIInChI=1S/C21H28O5/c1-19(2,25)14-5-7-20-10-13-12(16(23)3-4-17(13)24)9-18(20)21(26,11-22)8-6-15(14)20/h3-4,14-15,18,22,25-26H,5-11H2,1-2H3/t14-,15-,18+,20+,21-/m0/s1
InChIKeyYUPNZPIXVOVXID-OTWCRHSQSA-N
Species of MetaboliteComponentSourceComments
Hohenbuehelia (ncbitaxon:71886) - PubMed (30347707)
ChEBI Ontology
Outgoing Relation(s)
4-hydroxypleurogrisein (CHEBI:216065) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1R,10R,11R,14S,15S)-11-hydroxy-11-(hydroxymethyl)-15-(2-hydroxypropan-2-yl)tetracyclo[8.7.0.01,14.03,8]heptadeca-3(8),5-diene-4,7-dione