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CHEBI:215057 - Sordaricin-1-glucose ester

ChEBI IDCHEBI:215057
ChEBI NameSordaricin-1-glucose ester
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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@@H](C)[C@H]4CC2(CO)C13C(=O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C26H38O9/c1-12(2)17-6-14-7-25(11-29)16-5-4-13(3)15(16)8-24(14,10-28)26(17,25)23(33)35-22-21(32)20(31)19(30)18(9-27)34-22/h6,11-16,18-22,27-28,30-32H,4-5,7-10H2,1-3H3/t13-,14?,15-,16-,18?,19?,20?,21?,22?,24?,25?,26?/m1/s1
InChIKeyOXLNEWBDPBEFFS-VKHADAODSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (11827037)
ChEBI Ontology
Outgoing Relation(s)
Sordaricin-1-glucose ester (CHEBI:215057) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R,5R,8R)-9-ormyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate
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78445418ChemSpider