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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 > ilicicolinic acid e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > ilicicolinic acid e

Preferred term

ilicicolinic acid e  

Type

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

Broader concept

charge

  • 0

formula

  • C23H35ClO6

inchi

  • InChI=1S/C23H35ClO6/c1-14(8-6-12-23(5,30)13-7-11-22(3,4)29)9-10-16-19(25)17(21(27)28)15(2)18(24)20(16)26/h9,25-26,29-30H,6-8,10-13H2,1-5H3,(H,27,28)/b14-9+/t23-/m1/s1

inchikey

  • VPFRYSOYFPCGNZ-VTJDKEBTSA-N

mass

  • 442.980

monoisotopicmass

  • 442.21222

smiles

  • ClC1=C(O)C(=C(O)C(=C1C)C(=O)O)C/C=C(/CCC[C@@](O)(CCCC(O)(C)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • 5-chloro-3-[(E)-7,11-dihydroxy-3,7,11-trimethyldodec-2-enyl]-2,4-dihydroxy-6-methylbenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215677

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