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CHEBI:42038 - 11-DEOXYRHODOMYCIN B

Default Structure
ChEBI IDCHEBI:42038
ChEBI Name11-DEOXYRHODOMYCIN B
Stars
Last Modified29 May 2015
DownloadsMolfile
FormulaC40H51NO14
Net Charge0
Average Mass769.841
Monoisotopic Mass769.33096
SMILES[H]Oc1c([H])c([H])c([H])c2c1C(=O)c1c(O[H])c3c(c([H])c1C2=O)[C@@]([H])(O[H])[C@@](O[H])(C([H])([H])C([H])([H])[H])C([H])([H])[C@]3([H])O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])[H])C(=O)C([H])([H])C3([H])[H])[C@@]([H])(O[H])C2([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17-,18+,19+,23+,26+,27+,28+,29+,30+,37-,38+,39-,40-/m1/s1
InChIKeyOQDCVONZQOVIMP-UNQJTBPASA-N
ChEBI Ontology
Outgoing Relation(s)
11-DEOXYRHODOMYCIN B (CHEBI:42038) is a unclassifieds (CHEBI:27189)
Synonyms  Source
11-DEOXY-BETA-RHODOMYCINPDBeChem
(1S,3R,4R)-3-ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-arabino-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosidePDBeChem
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