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CHEBI:204792 - 7-Hydroxy-4'-O-demethylsordarin

ChEBI IDCHEBI:204792
ChEBI Name7-Hydroxy-4'-O-demethylsordarin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O9
Net Charge0
Average Mass494.581
Monoisotopic Mass494.25158
SMILESCC(C)C1=CC2CC3(C=O)[C@@H]4CC[C@](C)(O)[C@H]4CC2(COC2OC(C)C(O)C(O)C2O)C13C(=O)O
InChIInChI=1S/C26H38O9/c1-12(2)16-7-14-8-24(10-27)15-5-6-23(4,33)17(15)9-25(14,26(16,24)22(31)32)11-34-21-20(30)19(29)18(28)13(3)35-21/h7,10,12-15,17-21,28-30,33H,5-6,8-9,11H2,1-4H3,(H,31,32)/t13?,14?,15-,17+,18?,19?,20?,21?,23+,24?,25?,26?/m1/s1
InChIKeyCOAQAGFNEBBBSN-ZWMOGDEISA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (11827037)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-4'-O-demethylsordarin (CHEBI:204792) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(4S,5S,8R)-9-ormyl-5-hydroxy-5-methyl-13-propan-2-yl-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
78445408ChemSpider