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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > 3-oxo-23-hydroxyurs-12-en-28-oic acid
... > organooxygen compound > carbonyl compound > ketone > terpene ketone > cyclic terpene ketone > 3-oxo-23-hydroxyurs-12-en-28-oic acid

Preferred term

3-oxo-23-hydroxyurs-12-en-28-oic acid  

Type

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

charge

  • 0

formula

  • C30H46O4

has_parent_hydride

inchi

  • InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1

inchikey

  • RWFVBIQKMCLKMM-CARKBDGISA-N

mass

  • 470.68380

monoisotopicmass

  • 470.33961

smiles

  • C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 23-hydroxy-3-oxours-12-en-28-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67951

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