EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224747 - Paulomenol B

ChEBI IDCHEBI:224747
ChEBI NamePaulomenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO16
Net Charge0
Average Mass647.627
Monoisotopic Mass647.24253
SMILESCO[C@H]1C[C@H](O[C@@H]2[C@H](O)[C@H](COC(C)=O)O[C@H]([C@@]3(O)CC(=O)C(=N)C(C(=O)O)=C3O)[C@H]2O)O[C@@H](C)[C@]1(O)[C@H](C)OC(=O)C(C)C
InChIInChI=1S/C28H41NO16/c1-10(2)26(37)43-12(4)28(39)11(3)42-17(7-16(28)40-6)45-22-20(32)15(9-41-13(5)30)44-24(21(22)33)27(38)8-14(31)19(29)18(23(27)34)25(35)36/h10-12,15-17,20-22,24,29,32-34,38-39H,7-9H2,1-6H3,(H,35,36)/t11-,12-,15-,16-,17-,20+,21-,22+,24-,27+,28-/m0/s1
InChIKeyYPQBBJZWKRQORN-AMWUFBHMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3192491)
ChEBI Ontology
Outgoing Relation(s)
Paulomenol B (CHEBI:224747) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S)-3-[(2S,3S,4R,5R,6S)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Manual XrefsDatabases
78443243ChemSpider