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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > 6'-chloromelleolide f
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 6'-chloromelleolide f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > 6'-chloromelleolide f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > 6'-chloromelleolide f

Preferred term

6'-chloromelleolide f  

Type

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

Broader concept

charge

  • 0

formula

  • C23H29ClO6

inchi

  • InChI=1S/C23H29ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1

inchikey

  • NSKSXJALDJPPSI-PPUVGZBRSA-N

mass

  • 436.930

monoisotopicmass

  • 436.16527

smiles

  • ClC1=C(O)C=C(O)C(=C1C)C(=O)O[C@H]2[C@@]3(O)C(=C[C@@H]4CC(C[C@@H]4[C@@]3(C)C2)(C)C)CO

subset

  • 2_STAR

synonym EXACT

  • [(2R,2aS,4aS,7aS,7bR)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222614

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