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CHEBI:206537 - Langkocycline A1

ChEBI IDCHEBI:206537
ChEBI NameLangkocycline A1
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FormulaC31H36O12
Net Charge0
Average Mass600.617
Monoisotopic Mass600.22068
SMILESC[C@@H]1O[C@@H](O[C@]23C(=O)C[C@](C)(O)C[C@@]2(O)C=CC2=C3C(=O)c3cccc(O)c3C2=O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C31H36O12/c1-14-20(42-23-11-19(33)26(35)15(2)41-23)7-8-22(40-14)43-31-21(34)12-29(3,38)13-30(31,39)10-9-17-25(31)28(37)16-5-4-6-18(32)24(16)27(17)36/h4-6,9-10,14-15,19-20,22-23,26,32-33,35,38-39H,7-8,11-13H2,1-3H3/t14-,15+,19+,20-,22-,23-,26+,29-,30-,31-/m0/s1
InChIKeyUKEUSFCSLQPUQI-BKYHCZRISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies Acta 3034 (ncbitaxon:1312505) - PubMed (23820614)
ChEBI Ontology
Outgoing Relation(s)
Langkocycline A1 (CHEBI:206537) is a anthraquinone (CHEBI:22580)
Langkocycline A1 (CHEBI:206537) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4aR,12bS)-12b-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-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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