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CHEBI:198245 - Coumabiocin E

ChEBI IDCHEBI:198245
ChEBI NameCoumabiocin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36N2O12
Net Charge0
Average Mass628.631
Monoisotopic Mass628.22682
SMILESC=C(C)C(O)Cc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]4O)c(C)c3oc2=O)ccc1O
InChIInChI=1S/C31H36N2O12/c1-13(2)19(35)12-16-11-15(7-9-18(16)34)27(38)33-21-22(36)17-8-10-20(14(3)24(17)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7-11,19,23,25-26,29,34-37H,1,12H2,2-6H3,(H2,32,40)(H,33,38)/t19?,23-,25+,26-,29-/m1/s1
InChIKeyNXIHCVXNQGOJKR-ORVJENOTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies L-4-4 (ncbitaxon:756412) - PubMed (20384319)
ChEBI Ontology
Outgoing Relation(s)
Coumabiocin E (CHEBI:198245) is a coumarins (CHEBI:23403)
Coumabiocin E (CHEBI:198245) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
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24672073ChemSpider