CHEBI:224777 - TPU-0031-A

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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-A
ChEBI ID CHEBI:224777
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H34N2O11
Net Charge 0
Average Mass 598.605
Monoisotopic Mass 598.21626
InChI InChI=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
InChIKey SRAAUSFKQABSHS-GIBNYFNHSA-N
SMILES O=C1OC2=C(C=CC(=C2)O[C@H]3OC([C@@H](OC)[C@@H]([C@@H]3O)OC(=O)N)(C)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-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
Manual Xref Database
78442676 ChemSpider
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