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CHEBI:212691 - 7,8-dideoxy-6-oxo-griseorhodin C pentaacetate

ChEBI IDCHEBI:212691
ChEBI Name7,8-dideoxy-6-oxo-griseorhodin C pentaacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H28O16
Net Charge0
Average Mass704.593
Monoisotopic Mass704.13773
SMILESCOc1cc(OC(C)=O)c2c(OC(C)=O)c3c(c(OC(C)=O)c2c1OC(C)=O)O[C@]1(CCc2cc4cc(C)oc(=O)c4c(OC(C)=O)c2O1)C3=O
InChIInChI=1S/C35H28O16/c1-13-10-20-11-19-8-9-35(50-27(19)30(48-17(5)39)23(20)34(42)44-13)33(41)26-29(47-16(4)38)24-21(45-14(2)36)12-22(43-7)28(46-15(3)37)25(24)31(32(26)51-35)49-18(6)40/h10-12H,8-9H2,1-7H3/t35-/m1/s1
InChIKeySJWBAJYOWROTDC-PGUFJCEWSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes ianthinogenes (ncbitaxon:122358) - PubMed (9315079)
ChEBI Ontology
Outgoing Relation(s)
7,8-dideoxy-6-oxo-griseorhodin C pentaacetate (CHEBI:212691) has functional parent hexacarboxylic acid (CHEBI:59359)
7,8-dideoxy-6-oxo-griseorhodin C pentaacetate (CHEBI:212691) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4',8',9',10-tetraacetyloxy-7'-methoxy-7-methyl-3',9-dioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-benzo[][1]benzouran]-5'-yl) acetate
Manual XrefsDatabases
8162852ChemSpider