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CHEBI:219358 - Himalomycin B

ChEBI IDCHEBI:219358
ChEBI NameHimalomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H56O16
Net Charge0
Average Mass828.905
Monoisotopic Mass828.35684
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](c3ccc4c(c3O)C(=O)c3ccc(CC(C)(CC(=O)O)O[C@H]5CC[C@H](O[C@H]6CC[C@@H](O)[C@H](C)O6)[C@H](C)O5)c(O)c3C4=O)O[C@@H]2C)CC[C@H]1O
InChIInChI=1S/C43H56O16/c1-19-27(44)10-13-33(54-19)57-30-12-15-35(56-21(30)3)59-43(5,18-32(47)48)17-23-6-7-25-36(38(23)49)40(51)26-9-8-24(39(50)37(26)41(25)52)31-16-29(46)42(22(4)53-31)58-34-14-11-28(45)20(2)55-34/h6-9,19-22,27-31,33-35,42,44-46,49-50H,10-18H2,1-5H3,(H,47,48)/t19-,20-,21-,22+,27+,28+,29+,30-,31+,33-,34-,35-,42+,43?/m0/s1
InChIKeyKKNQZECZFJSPQR-YYTUHZOXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (14763560)
ChEBI Ontology
Outgoing Relation(s)
Himalomycin B (CHEBI:219358) is a anthraquinone (CHEBI:22580)
IUPAC Name 
4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-[(2S,5S,6S)-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbutanoic acid
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9940682ChemSpider