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CHEBI:225678 - Demethyl-L-681,217

ChEBI IDCHEBI:225678
ChEBI NameDemethyl-L-681,217
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H51NO10
Net Charge0
Average Mass645.790
Monoisotopic Mass645.35130
SMILESC/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)O)O2)C[C@H](O)C1(C)O
InChIInChI=1S/C35H51NO10/c1-7-8-11-18-30-34(5,42)29(38)22-35(43,46-30)25(4)33(41)36-20-15-14-16-23(2)32(44-6)24(3)28-21-26(37)27(45-28)17-12-9-10-13-19-31(39)40/h7-19,24-30,32,37-38,42-43H,20-22H2,1-6H3,(H,36,41)(H,39,40)/b8-7-,10-9+,15-14+,17-12+,18-11+,19-13+,23-16+/t24-,25+,26+,27+,28+,29-,30-,32+,34?,35-/m0/s1
InChIKeyVAQBFPWMGXKHCI-GGAQTUBPSA-N
Species of MetaboliteComponentSourceComments
Streptantibioticus cattleyicolor (ncbitaxon:29303) - PubMed (27220410)
ChEBI Ontology
Outgoing Relation(s)
Demethyl-L-681,217 (CHEBI:225678) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2E,4E,6E)-7-[(2R,3R,5R)-3-hydroxy-5-[(2S,3S,4E,6E)-3-methoxy-4-methyl-8-[[(2S)-2-[(2S,4S,6S)-2,4,5-trihydroxy-5-methyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]propanoyl]amino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid
Manual XrefsDatabases
78438776ChemSpider