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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 > triterpenoid > limonoid > khayasin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > khayasin

Preferred term

khayasin  

Type

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

Broader concept

charge

  • 0

formula

  • C32H42O8

inchi

  • InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12,16-17,20-21,23,27-28H,8-9,11,13-15H2,1-7H3/t17?,20-,21?,23+,27+,28?,31-,32-/m1/s1

inchikey

  • OVTKCGJIOHGDAN-HMQLAQMASA-N

mass

  • 554.680

monoisotopicmass

  • 554.28797

smiles

  • O(C1C([C@@H]([C@]2(C3C(C[C@@]1(C2=O)[H])=C4[C@@](CC3)([C@@H](OC(=O)C4)C=5C=COC5)C)C)CC(OC)=O)(C)C)C(=O)C(CC)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,5R,6R,13S,16S)-6-(uran-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-yl] 2-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185858

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