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CHEBI:225358 - Amycolabenzoside B

ChEBI IDCHEBI:225358
ChEBI NameAmycolabenzoside B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O9
Net Charge0
Average Mass404.371
Monoisotopic Mass404.11073
SMILESC[C@@H]1O[C@@H](Oc2cc(O)ccc2C(=O)C(=O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H20O9/c1-9-15(23)18(26)19(27)20(28-9)29-14-8-12(22)6-7-13(14)17(25)16(24)10-2-4-11(21)5-3-10/h2-9,15,18-23,26-27H,1H3/t9-,15-,18+,19+,20-/m0/s1
InChIKeyICUBOSVJFUOQLR-DKWSVIPJSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis hippodromi (ncbitaxon:871961) - PubMed (33216556)
ChEBI Ontology
Outgoing Relation(s)
Amycolabenzoside B (CHEBI:225358) is a stilbenoid (CHEBI:26776)
IUPAC Name 
1-(4-hydroxyphenyl)-2-[4-hydroxy-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]ethane-1,2-dione