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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 5'-deoxyneomacrophorin iv
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 5'-deoxyneomacrophorin iv
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 5'-deoxyneomacrophorin iv
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 5'-deoxyneomacrophorin iv
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > prenylquinone > 5'-deoxyneomacrophorin iv

Preferred term

5'-deoxyneomacrophorin iv  

Type

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

Broader concept

charge

  • 0

formula

  • C26H38O7

inchi

  • InChI=1S/C26H38O7/c1-15-6-7-20-24(3,4)21(29)8-9-25(20,5)18(15)12-26(32)13-19(28)17(11-22(26)30)14-33-23(31)10-16(2)27/h11,16,18,20-21,27,29,32H,1,6-10,12-14H2,2-5H3/t16-,18-,20-,21+,25+,26-/m0/s1

inchikey

  • RVSXFPAGFGEAHS-LDVINVOLSA-N

mass

  • 462.583

monoisotopicmass

  • 462.26175

smiles

  • O=C1C=C(C(=O)C[C@@]1(O)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H](C3(C)C)O)C)COC(=O)C[C@@H](O)C

subset

  • 2_STAR

synonym EXACT

  • [(4S)-4-[[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4-hydroxy-3,6-dioxocyclohexen-1-yl]methyl (3S)-3-hydroxybutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226703

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