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

Preferred term

ruageanin b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H40O10

has_role

inchi

  • InChI=1S/C32H40O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8,10,12,15,18-20,23,26-27,37H,9,11,13-14H2,1-7H3/b16-8+/t18-,19+,20-,23+,26+,27-,29-,30-,31+,32-/m1/s1

inchikey

  • RHNVFPUACKXTEQ-DEBVYSQHSA-N

mass

  • 584.65400

monoisotopicmass

  • 584.26215

smiles

  • COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(/C)=C/C)[C@]2(O)[C@H]3O[C@@]33[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O

subset

  • 2_STAR

synonym EXACT

  • (4R,4aR,6aR,7S,8S,10S,11S,11aR,12aS,12bR)-4-(furan-3-yl)-11-hydroxy-8-(2-methoxy-2-oxoethyl)-4a,7,9,9-tetramethyl-2,13-dioxododecahydro-2H,4H-7,11-methanooxireno[1,8]cycloocta[1,2-f]isochromen-10-yl (2E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68371

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