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Chemistry, part 2

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Concept information

organooxygen compound > ether > cyclic ether > 6alpha-malonyloxymanoyl oxide
organooxygen compound > oxacycle > cyclic ether > 6alpha-malonyloxymanoyl oxide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > 6alpha-malonyloxymanoyl oxide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > 6alpha-malonyloxymanoyl oxide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > 6alpha-malonyloxymanoyl oxide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > labdane diterpenoid > 6alpha-malonyloxymanoyl oxide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > labdane diterpenoid > 6alpha-malonyloxymanoyl oxide
organooxygen compound > ester > carboxylic ester > malonate ester > 6alpha-malonyloxymanoyl oxide
organooxygen compound > carbonyl compound > carboxylic ester > malonate ester > 6alpha-malonyloxymanoyl oxide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > malonate ester > 6alpha-malonyloxymanoyl oxide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > malonate ester > 6alpha-malonyloxymanoyl oxide

Preferred term

6alpha-malonyloxymanoyl oxide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H36O5

has_role

inchi

  • InChI=1S/C23H36O5/c1-7-21(4)12-9-16-22(5)11-8-10-20(2,3)19(22)15(14-23(16,6)28-21)27-18(26)13-17(24)25/h7,15-16,19H,1,8-14H2,2-6H3,(H,24,25)/t15-,16+,19-,21-,22+,23+/m0/s1

inchikey

  • JZRGFUZJIZSKTF-ALFLKXBZSA-N

mass

  • 392.52890

monoisotopicmass

  • 392.25627

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 3-{[(3R,4aR,6S,6aS,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-3-oxopropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66662

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