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CHEBI:207508 - Coumabiocin A

ChEBI IDCHEBI:207508
ChEBI NameCoumabiocin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36N2O12
Net Charge0
Average Mass628.631
Monoisotopic Mass628.22682
SMILESCO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc5c(c4)CC(C(C)(C)O)O5)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C31H36N2O12/c1-13-17(42-28-22(35)24(44-29(32)38)25(40-6)31(4,5)45-28)10-8-16-21(34)20(27(37)43-23(13)16)33-26(36)14-7-9-18-15(11-14)12-19(41-18)30(2,3)39/h7-11,19,22,24-25,28,34-35,39H,12H2,1-6H3,(H2,32,38)(H,33,36)/t19?,22-,24+,25-,28-/m1/s1
InChIKeyQABCYUIASODPGV-AMAVTPQFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies L-4-4 (ncbitaxon:756412) - PubMed (20384319)
ChEBI Ontology
Outgoing Relation(s)
Coumabiocin A (CHEBI:207508) is a coumarins (CHEBI:23403)
Coumabiocin A (CHEBI:207508) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
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24671592ChemSpider