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CHEBI:224777 - TPU-0031-A

ChEBI IDCHEBI:224777
ChEBI NameTPU-0031-A
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SubmitterMetaboLights
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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)oc3c2)OC1(C)C
InChIInChI=1S/C30H34N2O11/c1-14(2)6-7-15-12-16(8-11-19(15)33)26(36)32-21-22(34)18-10-9-17(13-20(18)41-27(21)37)40-28-23(35)24(42-29(31)38)25(39-5)30(3,4)43-28/h6,8-13,23-25,28,33-35H,7H2,1-5H3,(H2,31,38)(H,32,36)/t23-,24+,25-,28-/m0/s1
InChIKeySRAAUSFKQABSHS-GIBNYFNHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11480888)
ChEBI Ontology
Outgoing Relation(s)
TPU-0031-A (CHEBI:224777) is a coumarins (CHEBI:23403)
TPU-0031-A (CHEBI:224777) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,5S,6S)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
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78442676ChemSpider