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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 > cochlearol h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > cochlearol h

Preferred term

cochlearol h  

Type

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

Broader concept

charge

  • 0

formula

  • C21H26O6

inchi

  • InChI=1S/C21H26O6/c1-12-4-9-19(25)21(2,3)16(12)7-5-13(20(26)27)10-18(24)15-11-14(22)6-8-17(15)23/h6,8,10-11,19,22-23,25H,4-5,7,9H2,1-3H3,(H,26,27)/b13-10-/t19-/m1/s1

inchikey

  • JDJYGTTUJIPOEF-QTJNJRLBSA-N

mass

  • 374.433

monoisotopicmass

  • 374.17294

smiles

  • O=C(O)/C(=C/C(=O)C1=C(O)C=CC(=C1)O)/CCC2=C(CC[C@H](C2(C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (Z)-4-(2,5-dihydroxyphenyl)-2-[2-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]ethyl]-4-oxobut-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210518

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