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CHEBI:222708 - 3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one

ChEBI IDCHEBI:222708
ChEBI Name3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O13
Net Charge0
Average Mass566.556
Monoisotopic Mass566.19994
SMILESCOC(C(=O)C(O)C(C)O)C1Cc2cc3c(OC4C[C@H](O)[C@@H](O)[C@H](C)O4)c(O)c(C)c(O)c3c(O)c2C(=O)C1O
InChIInChI=1S/C27H34O13/c1-8-18(30)17-12(27(19(8)31)40-15-7-14(29)21(33)10(3)39-15)5-11-6-13(22(34)24(36)16(11)23(17)35)26(38-4)25(37)20(32)9(2)28/h5,9-10,13-15,20-22,26,28-35H,6-7H2,1-4H3/t9?,10-,13?,14-,15?,20?,21-,22?,26?/m0/s1
InChIKeyXDXHDDZVZHSRTQ-PTVXLIRWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10783084)
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one (CHEBI:222708) is a anthracenes (CHEBI:46955)
IUPAC Name 
3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
Manual XrefsDatabases
78445220ChemSpider