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CHEBI:201131 - Langkocycline A2

ChEBI IDCHEBI:201131
ChEBI NameLangkocycline A2
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FormulaC43H56O17
Net Charge0
Average Mass844.904
Monoisotopic Mass844.35175
SMILESC[C@@H]1O[C@H](O[C@@H]2CC[C@@H](O[C@@H]3C[C@H](O[C@H]4CC[C@H](O[C@]56C(=O)C[C@](C)(O)C[C@@]5(O)C=CC5=C6C(=O)c6cccc(O)c6C5=O)O[C@H]4C)O[C@H](C)[C@H]3O)O[C@@H]2C)C[C@H](O)[C@H]1O
InChIInChI=1S/C43H56O17/c1-19-27(57-33-15-26(45)37(47)21(3)55-33)9-11-31(53-19)59-29-16-34(56-22(4)38(29)48)58-28-10-12-32(54-20(28)2)60-43-30(46)17-41(5,51)18-42(43,52)14-13-24-36(43)40(50)23-7-6-8-25(44)35(23)39(24)49/h6-8,13-14,19-22,26-29,31-34,37-38,44-45,47-48,51-52H,9-12,15-18H2,1-5H3/t19-,20+,21+,22-,26+,27-,28+,29-,31-,32+,33-,34+,37+,38-,41+,42+,43+/m1/s1
InChIKeyDOBHYAQTLZTUTI-JSWZELETSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies Acta 3034 (ncbitaxon:1312505) - PubMed (23820614)
ChEBI Ontology
Outgoing Relation(s)
Langkocycline A2 (CHEBI:201131) is a anthraquinone (CHEBI:22580)
Langkocycline A2 (CHEBI:201131) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4aR,12bS)-12b-[(2S,5S,6S)-5-[(2S,4R,5R,6R)-4-[(2R,5R,6R)-5-[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,4a,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
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