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CHEBI:206681 - Declovanillobiocin

ChEBI IDCHEBI:206681
ChEBI NameDeclovanillobiocin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32N2O12
Net Charge0
Average Mass624.599
Monoisotopic Mass624.19552
SMILESCOc1cc(C(=O)Nc2c(O)c3ccc(OC4OC(C)(C)C(OC)C(OC(=O)c5ccc(C)n5)C4O)cc3oc2=O)ccc1O
InChIInChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)
InChIKeyJURYCYSCKRZQLD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15152806)
ChEBI Ontology
Outgoing Relation(s)
Declovanillobiocin (CHEBI:206681) is a coumarins (CHEBI:23403)
Declovanillobiocin (CHEBI:206681) is a glycoside (CHEBI:24400)
IUPAC Name 
[5-hydroxy-6-[4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
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