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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > dopaminochenodeoxycholic acid

Preferred term

dopaminochenodeoxycholic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H49NO5

inchi

  • InChI=1S/C32H49NO5/c1-19(4-9-29(38)33-15-12-20-5-8-26(35)27(36)16-20)23-6-7-24-30-25(11-14-32(23,24)3)31(2)13-10-22(34)17-21(31)18-28(30)37/h5,8,16,19,21-25,28,30,34-37H,4,6-7,9-15,17-18H2,1-3H3,(H,33,38)/t19-,21+,22-,23-,24+,25+,28-,30+,31+,32-/m1/s1

inchikey

  • HBSQVJAIKSBIME-RQHZQRJJSA-N

mass

  • 527.746

monoisotopicmass

  • 527.36107

smiles

  • C[C@H](CCC(=O)NCCC1=CC=C(O)C(O)=C1)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232202

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