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CHEBI:212551 - 5-Hydroxynovobiocin

ChEBI IDCHEBI:212551
ChEBI Name5-Hydroxynovobiocin
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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)c4cc(O)c(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C31H36N2O12/c1-13(2)7-8-15-11-16(12-18(34)21(15)35)27(38)33-20-22(36)17-9-10-19(14(3)24(17)43-28(20)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7,9-12,23,25-26,29,34-37H,8H2,1-6H3,(H2,32,40)(H,33,38)/t23-,25+,26-,29-/m1/s1
InChIKeyYISFZLVLAPMPOH-KGSXXDOSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RJA2961 (ncbitaxon:1009462) - PubMed (24130838)
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxynovobiocin (CHEBI:212551) is a coumarins (CHEBI:23403)
5-Hydroxynovobiocin (CHEBI:212551) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,5R,6R)-6-[3-[[3,4-dihydroxy-5-(3-methylbut-2-enyl)benzoyl]amino]-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
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90663624ChemSpider