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CHEBI:40723 - {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE

Default Structure
ChEBI IDCHEBI:40723
ChEBI Name{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILES[H]Oc1c([H])c([H])c([H])c2c1C(=O)c1c(O[H])c([C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[H])c(C([H])([H])C(=O)OC([H])([H])[H])c([H])c1C2=O
InChIInChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1
InChIKeySIHNJMGWRHPFAZ-XHDPSFHLSA-N
ChEBI Ontology
Outgoing Relation(s)
{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE (CHEBI:40723) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATEPDBeChem
methyl {3-[(1R,3S)-1,3-dihydroxypentyl]-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}acetatePDBeChem
Manual XrefsDatabases
AKVPDBeChem