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CHEBI:224753 - Paulomenol A

ChEBI IDCHEBI:224753
ChEBI NamePaulomenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H43NO16
Net Charge0
Average Mass661.654
Monoisotopic Mass661.25818
SMILESCC[C@@H](C)C(=O)O[C@@H](C)[C@@]1(O)[C@H](C)O[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)C[C@@H]1OC
InChIInChI=1S/C29H43NO16/c1-7-11(2)27(38)44-13(4)29(40)12(3)43-18(8-17(29)41-6)46-23-21(33)16(10-42-14(5)31)45-25(22(23)34)28(39)9-15(32)20(30)19(24(28)35)26(36)37/h11-13,16-18,21-23,25,30,33-35,39-40H,7-10H2,1-6H3,(H,36,37)/t11-,12+,13+,16+,17+,18+,21+,22+,23+,25+,28-,29+/m1/s1
InChIKeySHEGJBUWXPNFSS-IDASZTQFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3192491)
ChEBI Ontology
Outgoing Relation(s)
Paulomenol A (CHEBI:224753) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S)-3-[(2S,3S,4S,5S,6S)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2R)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Manual XrefsDatabases
78443244ChemSpider