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CHEBI:226183 - Pestalotioquinoside C

ChEBI IDCHEBI:226183
ChEBI NamePestalotioquinoside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESC=C(C#Cc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O)CCC=C(C)C
InChIInChI=1S/C22H28O6/c1-13(2)6-5-7-14(3)8-9-16-12-17(10-11-18(16)23)28-22-21(26)20(25)19(24)15(4)27-22/h6,10-12,15,19-26H,3,5,7H2,1-2,4H3/t15-,19-,20+,21+,22-/m0/s1
InChIKeyNRDCSLAQSOIIRI-RMGTVLPZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (32283019)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioquinoside C (CHEBI:226183) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4R,5R,6S)-2-[4-hydroxy-3-(7-methyl-3-methylideneoct-6-en-1-ynyl)phenoxy]-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
85696893ChemSpider