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CHEBI:226789 - 7-demethyl-glucopiericidin A

ChEBI IDCHEBI:226789
ChEBI Name7-demethyl-glucopiericidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H55NO14
Net Charge0
Average Mass725.829
Monoisotopic Mass725.36226
SMILESC/C=C(\C)[C@H](O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)/C=C/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(=O)c1C
InChIInChI=1S/C36H55NO14/c1-8-19(3)32(20(4)13-11-9-10-12-18(2)14-15-22-21(5)25(39)33(46-6)34(37-22)47-7)51-36-31(45)29(43)27(41)24(50-36)17-48-35-30(44)28(42)26(40)23(16-38)49-35/h8-11,13-14,20,23-24,26-32,35-36,38,40-45H,12,15-17H2,1-7H3,(H,37,39)/b10-9+,13-11+,18-14+,19-8+/t20-,23-,24-,26+,27-,28+,29+,30-,31-,32+,35+,36+/m1/s1
InChIKeyPZMGFIZMGVGUAT-PESLJEEUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29651143)
ChEBI Ontology
Outgoing Relation(s)
7-demethyl-glucopiericidin A (CHEBI:226789) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2,3-dimethoxy-5-methyl-6-[(2E,5E,7E,9R,10R,11E)-3,9,11-trimethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-1H-pyridin-4-one
Manual XrefsDatabases
78441598ChemSpider