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Chemistry, part 2

Content language

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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 > organic hydroxy compound > alcohol > cyclohexanols > dothideomycetone a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > cyclohexanols > dothideomycetone a

Preferred term

dothideomycetone a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H40O7

inchi

  • InChI=1S/C25H40O7/c1-7-13(2)22(28)16(5)24(30)32-20-12-17(15(4)23(29)25(20,6)31)11-19(27)21-14(3)9-8-10-18(21)26/h13-14,16,18,20-22,26,28,31H,7-12H2,1-6H3/t13-,14+,16+,18-,20-,21-,22+,25-/m0/s1

inchikey

  • YRAPWMYACXYABW-ZEXAJZPYSA-N

mass

  • 452.588

monoisotopicmass

  • 452.27740

smiles

  • O=C1C(=C(C[C@@H]([C@@]1(O)C)OC(=O)[C@@H]([C@H](O)[C@H](CC)C)C)CC(=O)[C@@H]2[C@@H](O)CCC[C@H]2C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,6S)-6-hydroxy-3-[2-[(1S,2S,6R)-2-hydroxy-6-methylcyclohexyl]-2-oxoethyl]-4,6-dimethyl-5-oxocyclohex-3-en-1-yl] (2R,3R,4S)-3-hydroxy-2,4-dimethylhexanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215859

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