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CHEBI:225352 - Amycolabenzoside A

ChEBI IDCHEBI:225352
ChEBI NameAmycolabenzoside A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O8
Net Charge0
Average Mass404.415
Monoisotopic Mass404.14712
SMILESCOc1ccc(C(=O)Cc2ccc(O)cc2)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C21H24O8/c1-11-18(24)19(25)20(26)21(28-11)29-17-10-14(27-2)7-8-15(17)16(23)9-12-3-5-13(22)6-4-12/h3-8,10-11,18-22,24-26H,9H2,1-2H3/t11-,18-,19+,20+,21-/m0/s1
InChIKeyNOVCSQJBSHKXTF-GLBFEIIJSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis hippodromi (ncbitaxon:871961) - PubMed (33216556)
ChEBI Ontology
Outgoing Relation(s)
Amycolabenzoside A (CHEBI:225352) is a glycoside (CHEBI:24400)
Amycolabenzoside A (CHEBI:225352) is a stilbenoid (CHEBI:26776)
IUPAC Name 
2-(4-hydroxyphenyl)-1-[4-methoxy-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]ethanone