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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 > monoterpenoid > iridoid monoterpenoid > hamigeran l 11-o-methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > hamigeran l 11-o-methyl ester

Preferred term

hamigeran l 11-o-methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C20H27BrO5

inchi

  • InChI=1S/C20H27BrO5/c1-10(2)12-6-7-20(4,9-14(22)26-5)16(12)13-8-11(3)17(21)18(23)15(13)19(24)25/h8,10,12,16,23H,6-7,9H2,1-5H3,(H,24,25)/t12-,16-,20+/m1/s1

inchikey

  • PFHVKHJUCDAVBU-RRBXVBTKSA-N

mass

  • 427.335

monoisotopicmass

  • 426.10419

smiles

  • BrC1=C(O)C(=C([C@@H]2[C@@](CC[C@@H]2C(C)C)(CC(=O)OC)C)C=C1C)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • 3-bromo-2-hydroxy-6-[(1S,2S,5R)-2-(2-methoxy-2-oxoethyl)-2-methyl-5-propan-2-ylcyclopentyl]-4-methylbenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208743

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