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CHEBI:225676 - Coumabiocin D

ChEBI IDCHEBI:225676
ChEBI NameCoumabiocin D
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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(O)C(C)(C)O5)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C31H36N2O12/c1-13-17(41-28-22(36)24(43-29(32)39)25(40-6)31(4,5)45-28)10-8-16-21(35)20(27(38)42-23(13)16)33-26(37)14-7-9-18-15(11-14)12-19(34)30(2,3)44-18/h7-11,19,22,24-25,28,34-36H,12H2,1-6H3,(H2,32,39)(H,33,37)/t19?,22-,24+,25-,28-/m1/s1
InChIKeyVIANIJJKWWIRQS-AMAVTPQFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies L-4-4 (ncbitaxon:756412) - PubMed (20384319)
ChEBI Ontology
Outgoing Relation(s)
Coumabiocin D (CHEBI:225676) is a coumarins (CHEBI:23403)
Coumabiocin D (CHEBI:225676) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Manual XrefsDatabases
24673119ChemSpider