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CHEBI:205072 - TPU-0031-B

ChEBI IDCHEBI:205072
ChEBI NameTPU-0031-B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34N2O11
Net Charge0
Average Mass598.605
Monoisotopic Mass598.21626
SMILESCO[C@H]1[C@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)O[C@@H]1C
InChIInChI=1S/C30H34N2O11/c1-13(2)6-7-16-12-17(8-10-19(16)33)27(36)32-21-22(34)18-9-11-20(14(3)24(18)42-28(21)37)41-29-23(35)26(43-30(31)38)25(39-5)15(4)40-29/h6,8-12,15,23,25-26,29,33-35H,7H2,1-5H3,(H2,31,38)(H,32,36)/t15-,23+,25-,26-,29-/m1/s1
InChIKeyZYFOUWFPBOFFGB-KUFHLPEQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11480888)
ChEBI Ontology
Outgoing Relation(s)
TPU-0031-B (CHEBI:205072) is a coumarins (CHEBI:23403)
TPU-0031-B (CHEBI:205072) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4R,5R,6R)-3-hydroxy-2-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-5-methoxy-6-methyloxan-4-yl] carbamate
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78442599ChemSpider