CHEBI:227901 - Amidepsine F

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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 Amidepsine F
ChEBI ID CHEBI:227901
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H39NO16
Net Charge 0
Average Mass 729.688
Monoisotopic Mass 729.22688
InChI InChI=1S/C35H39NO16/c1-14-8-19(10-21(38)25(14)31(42)36-17(4)32(43)44)49-34(46)27-16(3)9-20(50-33(45)26-15(2)7-18(47-5)11-22(26)48-6)12-23(27)51-35-30(41)29(40)28(39)24(13-37)52-35/h7-12,17,24,28-30,35,37-41H,13H2,1-6H3,(H,36,42)(H,43,44)/t17-,24-,28-,29+,30-,35-/m0/s1
InChIKey URBFANMWRODMRT-QQXCWLMZSA-N
SMILES O=C(OC1=CC(O)=C(C(=O)N[C@H](C(=O)O)C)C(=C1)C)C2=C(O[C@H]3O[C@H]([C@H](O)[C@H]([C@@H]3O)O)CO)C=C(OC(=O)C4=C(OC)C=C(OC)C=C4C)C=C2C
Metabolite of Species Details
Humicola (NCBI:txid5526) See: PubMed
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Amidepsine F (CHEBI:227901) is a tannin (CHEBI:26848)
IUPAC Name
(2S)-2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-methyl-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid
Manual Xref Database
78438386 ChemSpider
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