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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 > actg-toxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > actg-toxin a

Preferred term

actg-toxin a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O4

inchi

  • InChI=1S/C21H32O4/c1-13(2)6-5-7-14(3)15-10-11-21(4,25)17(15)12-16-18(22)8-9-19(23)20(16)24/h6,10,14,17,19,23-25H,5,7-9,11-12H2,1-4H3

inchikey

  • SVUAWISCDNAMSM-UHFFFAOYSA-N

mass

  • 348.483

monoisotopicmass

  • 348.23006

smiles

  • O=C1C(=C(O)C(O)CC1)CC2C(=CCC2(O)C)C(CCC=C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • 3,4-dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222457

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