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CHEBI:213537 - 2'-O-Acetylsordarin

ChEBI IDCHEBI:213537
ChEBI Name2'-O-Acetylsordarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O9
Net Charge0
Average Mass534.646
Monoisotopic Mass534.28288
SMILESCOC1C(C)OC(OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)O)C(OC(C)=O)C1O
InChIInChI=1S/C29H42O9/c1-14(2)21-9-18-10-27(12-30)20-8-7-15(3)19(20)11-28(18,29(21,27)26(33)34)13-36-25-24(38-17(5)31)22(32)23(35-6)16(4)37-25/h9,12,14-16,18-20,22-25,32H,7-8,10-11,13H2,1-6H3,(H,33,34)/t15-,16?,18?,19-,20-,22?,23?,24?,25?,27?,28?,29?/m1/s1
InChIKeyCQEKPQJDWBHIQF-RDCXXZNGSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (11827037)
ChEBI Ontology
Outgoing Relation(s)
2'-O-Acetylsordarin (CHEBI:213537) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(4R,5R,8R)-2-[(3-acetyloxy-4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
78445416ChemSpider