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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > 10-dehydroxymelleolide d
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 10-dehydroxymelleolide d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > 10-dehydroxymelleolide d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > 10-dehydroxymelleolide d

Preferred term

10-dehydroxymelleolide d  

Type

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

Broader concept

charge

  • 0

formula

  • C24H31ClO7

inchi

  • InChI=1S/C24H31ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,16-17,26-27,29-30H,8-11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1

inchikey

  • MTMJUSLUGGIJKC-FUVFEPFRSA-N

mass

  • 466.960

monoisotopicmass

  • 466.17583

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201941

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