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CHEBI:190786 - Mocimycin

ChEBI IDCHEBI:190786
ChEBI NameMocimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N2O12
Net Charge0
Average Mass796.955
Monoisotopic Mass796.41463
SMILES[H][C@@]1([C@H](C)[C@H](OC)/C(C)=C/C=C/CNC(=O)[C@@H](CC)[C@@]2(O)O[C@@H](/C=C/C=C\C)C(C)(C)[C@@H](O)[C@H]2O)O[C@H](/C=C/C=C/C=C(\C)C(=O)c2c(O)ccnc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1
InChIKeyHMSYAPGFKGSXAJ-PAHGNTJYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Mocimycin (CHEBI:190786) is a C-glycosyl compound (CHEBI:20857)
IUPAC Names 
(2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamide
(2S)-N-[(6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyloxan-2-yl]butanamide
Manual XrefsDatabases
4883396ChemSpider
KIRPDBeChem
292440ChemSpider
Registry NumbersSources
CAS:50935-71-2ChemIDplus