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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > tca 11a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > tca 11a

Preferred term

tca 11a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28O5

inchi

  • InChI=1S/C21H28O5/c1-12(5-4-6-13(2)20(24)25)14-9-10-21(3)16(14)11-15-17(22)7-8-18(23)19(15)26-21/h6,9,12,16,18,23H,4-5,7-8,10-11H2,1-3H3,(H,24,25)/b13-6+/t12?,16-,18-,21+/m0/s1

inchikey

  • VBPRIRXBMCHFDW-NLUVTFGHSA-N

mass

  • 360.450

monoisotopicmass

  • 360.19367

smiles

  • O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)C(CC/C=C(/C(=O)O)/C)C)C)[C@@H](O)CC1

subset

  • 2_STAR

synonym EXACT

  • (E)-6-[(3aR,5S,9aS)-5-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197991

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