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CHEBI:197618 - Vanillobiocin

ChEBI IDCHEBI:197618
ChEBI NameVanillobiocin
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SubmitterMetaboLights
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FormulaC31H31ClN2O12
Net Charge0
Average Mass659.044
Monoisotopic Mass658.15655
SMILESCOc1cc(C(=O)Nc2c(O)c3ccc(OC4OC(C)(C)C(OC)C(OC(=O)c5ccc(C)n5)C4O)c(Cl)c3oc2=O)ccc1O
InChIInChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)30(46-31(2,3)26(25)42-5)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)
InChIKeyLNDDBMXOCFEELJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15152806)
ChEBI Ontology
Outgoing Relation(s)
Vanillobiocin (CHEBI:197618) is a coumarins (CHEBI:23403)
Vanillobiocin (CHEBI:197618) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[8-chloro-4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
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