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CHEBI:197918 - Sordarin-1-glucose ester

ChEBI IDCHEBI:197918
ChEBI NameSordarin-1-glucose ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O13
Net Charge0
Average Mass654.750
Monoisotopic Mass654.32514
SMILESCOC1C(C)OC(OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C33H50O13/c1-14(2)20-8-17-9-31(12-35)19-7-6-15(3)18(19)10-32(17,13-43-28-26(40)24(38)27(42-5)16(4)44-28)33(20,31)30(41)46-29-25(39)23(37)22(36)21(11-34)45-29/h8,12,14-19,21-29,34,36-40H,6-7,9-11,13H2,1-5H3/t15-,16?,17?,18-,19-,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?/m1/s1
InChIKeyNLDDAQSAGIEQAK-IGEXOZPXSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (11827037)
ChEBI Ontology
Outgoing Relation(s)
Sordarin-1-glucose ester (CHEBI:197918) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R,5R,8R)-2-[(3,4-dihydroxy-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-carboxylate
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78445377ChemSpider