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CHEBI:197887 - 6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin B

Default Structure
ChEBI IDCHEBI:197887
ChEBI Name6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O11
Net Charge0
Average Mass544.553
Monoisotopic Mass544.19446
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@H]3CC[C@H](O)[C@H](C)O3)[C@]1(O)[C@@H](C)O2
InChIInChI=1S/C28H32O11/c1-10-16(29)4-5-20(37-10)39-18-9-17-23-24(28(18,35)12(3)38-17)27(34)22-15(25(23)32)7-13-6-14(8-19(30)31)36-11(2)21(13)26(22)33/h7,10-12,14,16-18,20,29,33,35H,4-6,8-9H2,1-3H3,(H,30,31)/t10-,11-,12+,14+,16-,17+,18+,20-,28+/m0/s1
InChIKeyZJPBUJSZARGKRN-RZLQFGFSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25153802)
ChEBI Ontology
Outgoing Relation(s)
6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin B (CHEBI:197887) is a anthraquinone (CHEBI:22580)
IUPAC Name 
2-[(1R,7S,9R,16R,18R,19R)-1,5-dihydroxy-19-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-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
Manual XrefsDatabases
78436293ChemSpider