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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > spongia-13(16),14-dien-19-oic acid
organooxygen compound > ether > cyclic ether > spongia-13(16),14-dien-19-oic acid
organooxygen compound > oxacycle > cyclic ether > spongia-13(16),14-dien-19-oic acid

Preferred term

spongia-13(16),14-dien-19-oic acid  

Type

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

charge

  • 0

formula

  • C20H28O3

inchi

  • InChI=1S/C20H28O3/c1-18-10-7-16-19(2,8-4-9-20(16,3)17(21)22)15(18)6-5-13-11-23-12-14(13)18/h11-12,15-16H,4-10H2,1-3H3,(H,21,22)/t15-,16+,18-,19+,20-/m0/s1

inchikey

  • KJCLDWYEUKTPNA-ZRSLWSEBSA-N

mass

  • 316.43450

monoisotopicmass

  • 316.20384

smiles

  • [H][C@]12CCc3cocc3[C@]1(C)CC[C@@]1([H])[C@](C)(CCC[C@]21C)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69143

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