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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 > monoterpenoid > cuevaene b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > cuevaene b

Preferred term

cuevaene b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24O7

inchi

  • InChI=1S/C21H24O7/c1-12(9-14(28-2)6-7-20(25)26)8-13-4-3-5-15(21(13)27)16-10-18(23)19(24)11-17(16)22/h6-11,13,22-24,27H,3-5H2,1-2H3,(H,25,26)/b7-6+,12-8+,14-9-/t13-/m0/s1

inchikey

  • WKLFGCOQAHCWHB-GXQDTTEUSA-N

mass

  • 388.416

monoisotopicmass

  • 388.15220

smiles

  • O=C(O)/C=C/C(/OC)=C/C(=C/[C@H]1C(O)=C(C2=C(O)C=C(O)C(=C2)O)CCC1)/C

subset

  • 2_STAR

synonym EXACT

  • (2E,4Z,6E)-7-[2-hydroxy-3-(2,4,5-trihydroxyphenyl)cyclohex-2-en-1-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226913

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