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CHEBI:217403 - Sordarin-3-carboxylic acid

ChEBI IDCHEBI:217403
ChEBI NameSordarin-3-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O9
Net Charge0
Average Mass508.608
Monoisotopic Mass508.26723
SMILESCOC1C(C)OC(OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C(=O)O)CC2C=C(C(C)C)C34C(=O)O)C(O)C1O
InChIInChI=1S/C27H40O9/c1-12(2)18-8-15-9-26(23(30)31)17-7-6-13(3)16(17)10-25(15,27(18,26)24(32)33)11-35-22-20(29)19(28)21(34-5)14(4)36-22/h8,12-17,19-22,28-29H,6-7,9-11H2,1-5H3,(H,30,31)(H,32,33)/t13-,14?,15?,16-,17-,19?,20?,21?,22?,25?,26?,27?/m1/s1
InChIKeyVAVQCGVUDQEFIZ-GQCQILQESA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (11827037)
ChEBI Ontology
Outgoing Relation(s)
Sordarin-3-carboxylic acid (CHEBI:217403) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(4R,5R,8R)-2-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1,9-dicarboxylic acid
Manual XrefsDatabases
78445420ChemSpider