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Concept information

Preferred term

mesembryanthemoidigenic acid  

Type

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

charge

  • 0

formula

  • C30H48O4

has_parent_hydride

inchi

  • InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,26+,27-,28+,29+,30-/m0/s1

inchikey

  • CZWBKSDPBWNHGO-DPJNYECVSA-N

mass

  • 472.701

monoisotopicmass

  • 472.35526

smiles

  • [C@@]12(C([C@@]3(C[C@@](CO)(C)CC[C@@]3(CC1)C(=O)O)[H])=CC[C@@]4([C@]5(CC[C@@H](C([C@@]5(CC[C@@]24C)[H])(C)C)O)C)[H])C

subset

  • 3_STAR

synonym EXACT

  • (3beta)-3,29-dihydroxyolean-12-en-28-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132373

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