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CHEBI:214292 - 3-Deformyl-3-hydroxymethyl sordarin

ChEBI IDCHEBI:214292
ChEBI Name3-Deformyl-3-hydroxymethyl sordarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O8
Net Charge0
Average Mass494.625
Monoisotopic Mass494.28797
SMILESCOC1C(C)OC(OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(CO)CC2C=C(C(C)C)C34C(=O)O)C(O)C1O
InChIInChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h8,13-18,20-23,28-30H,6-7,9-12H2,1-5H3,(H,31,32)/t14-,15?,16?,17-,18-,20?,21?,22?,23?,25?,26?,27?/m1/s1
InChIKeyYYTTUPKPVYPGSM-MAIXLWTKSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (11827037)
ChEBI Ontology
Outgoing Relation(s)
3-Deformyl-3-hydroxymethyl sordarin (CHEBI:214292) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(4R,5R,8R)-2-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxymethyl]-9-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
78445456ChemSpider