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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 > diterpenoid > aphidicolin a12
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > aphidicolin a12

Preferred term

aphidicolin a12  

Type

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

Broader concept

charge

  • 0

formula

  • C22H36O6

inchi

  • InChI=1S/C22H36O6/c1-13(24)28-12-22(27)7-6-21-10-15(22)8-14(21)9-16(25)18-19(2,11-23)17(26)4-5-20(18,21)3/h14-18,23,25-27H,4-12H2,1-3H3/t14-,15-,16-,17-,18+,19-,20+,21+,22+/m1/s1

inchikey

  • YYDRYRWTPMCVJM-SZYTVDRKSA-N

mass

  • 396.524

monoisotopicmass

  • 396.25119

smiles

  • O=C(OC[C@]1(O)[C@H]2C[C@@]3([C@@]4([C@H]([C@@]([C@H](O)CC4)(CO)C)[C@@H](C[C@H]3C2)O)C)CC1)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,5R,6R,7R,8R,10R,12R,13R)-5,8,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224712

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