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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > 16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclic terpene ketone > 16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid
... > organooxygen compound > carbonyl compound > ketone > terpene ketone > cyclic terpene ketone > 16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid

Preferred term

16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid  

Type

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

charge

  • 0

formula

  • C30H46O6

has_parent_hydride

inchi

  • InChI=1S/C30H46O6/c1-25(16-31)12-13-30(24(35)36)19(14-25)18-6-7-21-26(2)10-9-22(33)27(3,17-32)20(26)8-11-28(21,4)29(18,5)15-23(30)34/h6,19-21,23,31-32,34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,23+,25+,26-,27-,28+,29+,30+/m0/s1

inchikey

  • XRUBFYYNZLBFBN-JYGFFPNFSA-N

mass

  • 502.68260

monoisotopicmass

  • 502.32944

smiles

  • C[C@@]1(CO)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (16alpha)-16,23,29-trihydroxy-3-oxoolean-12-en-28-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69363

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