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CHEBI:211528 - Coumabiocin C

ChEBI IDCHEBI:211528
ChEBI NameCoumabiocin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36N2O11
Net Charge0
Average Mass612.632
Monoisotopic Mass612.23191
SMILESCO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C31H36N2O11/c1-14-18(40-28-22(35)24(42-29(32)38)25(39-6)31(4,5)44-28)10-8-17-21(34)20(27(37)41-23(14)17)33-26(36)16-7-9-19-15(13-16)11-12-30(2,3)43-19/h7-10,13,22,24-25,28,34-35H,11-12H2,1-6H3,(H2,32,38)(H,33,36)/t22-,24+,25-,28-/m1/s1
InChIKeyXHPKFSICBQUAKE-BOFKSZNZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies L-4-4 (ncbitaxon:756412) - PubMed (20384319)
ChEBI Ontology
Outgoing Relation(s)
Coumabiocin C (CHEBI:211528) is a coumarins (CHEBI:23403)
Coumabiocin C (CHEBI:211528) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,5R,6R)-6-[3-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
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