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CHEBI:222840 - 11-hydroxynovobiocin

ChEBI IDCHEBI:222840
ChEBI Name11-hydroxynovobiocin
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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)c4ccc(O)c(C/C=C(\C)CO)c4)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C31H36N2O12/c1-14(13-34)6-7-16-12-17(8-10-19(16)35)27(38)33-21-22(36)18-9-11-20(15(2)24(18)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-5)31(3,4)45-29/h6,8-12,23,25-26,29,34-37H,7,13H2,1-5H3,(H2,32,40)(H,33,38)/b14-6+/t23-,25+,26-,29+/m1/s1
InChIKeyLCJSKYNFIIXMOR-FXZNJYQSSA-N
ChEBI Ontology
Outgoing Relation(s)
11-hydroxynovobiocin (CHEBI:222840) is a coumarins (CHEBI:23403)
11-hydroxynovobiocin (CHEBI:222840) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,5R,6S)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
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78443040ChemSpider