Spectrum CCMSLIB00005435469 for glycolithocholic acid

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
474-74-8
InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16?,17-,18-,19+,20-,21+,22+,25?,26?/m1/s1
C26H43NO4
433.31920885600005
O=C(O)CN=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
XBSQTYHEGZTYJE-REPOFGKESA-N