CHEBI:225352 - Amycolabenzoside 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 Amycolabenzoside A
ChEBI ID CHEBI:225352
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O8
Net Charge 0
Average Mass 404.415
Monoisotopic Mass 404.14712
InChI InChI=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
InChIKey NOVCSQJBSHKXTF-GLBFEIIJSA-N
SMILES O=C(C1=C(O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)C=C(OC)C=C1)CC3=CC=C(O)C=C3
Metabolite of Species Details
Amycolatopsis hippodromi (NCBI:txid871961) See: PubMed
ChEBI Ontology
Outgoing 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