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CHEBI:226795 - Glucopiericidinol A3

ChEBI IDCHEBI:226795
ChEBI NameGlucopiericidinol A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57NO14
Net Charge0
Average Mass739.856
Monoisotopic Mass739.37791
SMILESCC=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=CCC(C)=CCc1nc(OC)c(OC)c(=O)c1C
InChIInChI=1S/C37H57NO14/c1-9-20(4)33(21(5)15-19(3)12-10-11-18(2)13-14-23-22(6)26(40)34(47-7)35(38-23)48-8)52-37-32(46)30(44)28(42)25(51-37)17-49-36-31(45)29(43)27(41)24(16-39)50-36/h9-10,12-13,15,21,24-25,27-33,36-37,39,41-46H,11,14,16-17H2,1-8H3,(H,38,40)/t21-,24-,25-,27+,28-,29+,30+,31-,32-,33+,36+,37+/m1/s1
InChIKeyONDJAWAPNLRFQC-KJUBBQSVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29651143)
ChEBI Ontology
Outgoing Relation(s)
Glucopiericidinol A3 (CHEBI:226795) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
2,3-dimethoxy-5-methyl-6-[(9R,10R)-3,7,9,11-tetramethyl-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