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Concept information

Preferred term

5 [(3aS,4R,5R,6aS) 5 hydroxy 4 [(3S) 3 hydroxy 4 methyloct 1 en 6 ynyl] 3,3a,4,5,6,6a hexahydro 1H pentalen 2 ylidene]pentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O4

inchi

  • InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/t15?,17-,18+,19-,20+,21+/m0/s1

inchikey

  • HIFJCPQKFCZDDL-XZCJVGAVSA-N

mass

  • 360.488

monoisotopicmass

  • 360.23006

smiles

  • CC#CCC(C)[C@@H](C=C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=CCCCC(=O)O)C2)O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94383

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