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CHEBI:198626 - 6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin A

ChEBI IDCHEBI:198626
ChEBI Name6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILESC[C@@H]1O[C@@H](CC(=O)O)Cc2cc3c(c(O)c21)C(=O)C1=C(C3=O)[C@H]2C[C@@H](O)[C@]1(O)[C@@H](C)O2
InChIInChI=1S/C22H22O9/c1-7-15-9(3-10(30-7)5-14(24)25)4-11-16(20(15)27)21(28)18-17(19(11)26)12-6-13(23)22(18,29)8(2)31-12/h4,7-8,10,12-13,23,27,29H,3,5-6H2,1-2H3,(H,24,25)/t7-,8+,10+,12+,13+,22+/m0/s1
InChIKeyQJOFRWDMXPKWGM-XFQYPSQYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25153802)
ChEBI Ontology
Outgoing Relation(s)
6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin A (CHEBI:198626) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2-[(1S,7S,9R,16R,18R,19R)-1,5,19-trihydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4(13),5,11-tetraen-9-yl]acetic acid