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CHEBI:232257 - dopaminocholic acid

Default Structure
ChEBI IDCHEBI:232257
ChEBI Namedopaminocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC32H49NO6
Net Charge0
Average Mass543.745
Monoisotopic Mass543.35599
SMILESC[C@H](CCC(=O)NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIInChI=1S/C32H49NO6/c1-18(4-9-29(39)33-13-11-19-5-8-25(35)26(36)14-19)22-6-7-23-30-24(17-28(38)32(22,23)3)31(2)12-10-21(34)15-20(31)16-27(30)37/h5,8,14,18,20-24,27-28,30,34-38H,4,6-7,9-13,15-17H2,1-3H3,(H,33,39)/t18-,20+,21-,22-,23+,24+,27-,28+,30+,31+,32-/m1/s1
InChIKeyDXDZWLJOCMIZOC-PRXHCWHHSA-N
ChEBI Ontology
Outgoing Relation(s)
dopaminocholic acid (CHEBI:232257) is a organic molecular entity (CHEBI:50860)