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CHEBI:42179 - 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE

Default Structure
ChEBI IDCHEBI:42179
ChEBI Name1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
Stars
DownloadsMolfile
FormulaC24H30O7
Net Charge0
Average Mass430.497
Monoisotopic Mass430.19915
SMILES[H]Oc1c2c(c([H])c3c([H])c([H])c([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])c(O[H])c13)C([H])([H])[C@@]([H])([C@]([H])(OC([H])([H])[H])C(=O)[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C2=O
InChIInChI=1S/C24H30O7/c1-5-11(2)16-7-6-13-8-14-9-15(24(31-4)23(30)20(27)12(3)25)10-17(26)18(14)22(29)19(13)21(16)28/h6-8,11-12,15,20,24-25,27-29H,5,9-10H2,1-4H3/t11-,12-,15-,20+,24+/m1/s1
InChIKeyXGORHSPGULYMCV-HHYQQTLHSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE (CHEBI:42179) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENEPDBeChem
(1S)-5-deoxy-1-C-{(2R)-5,10-dihydroxy-6-[(1R)-1-methylpropyl]-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl}-1-O-methyl-D-xylulosePDBeChem
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