CHEBI:205072 - TPU-0031-B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TPU-0031-B
ChEBI ID CHEBI:205072
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB3167375, ChemicalBook:CB4183426, eMolecules:494487, ZINC000000899824
Download Molfile XML SDF
Formula C30H34N2O11
Net Charge 0
Average Mass 598.605
Monoisotopic Mass 598.21626
InChI InChI=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
InChIKey ZYFOUWFPBOFFGB-KUFHLPEQSA-N
SMILES O=C1OC2=C(C=CC(=C2C)O[C@H]3O[C@@H]([C@@H](OC)[C@@H]([C@@H]3O)OC(=O)N)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CC=C(C)C)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78442599 ChemSpider
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