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

Preferred term

brabetaicicene f  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O5

inchi

  • InChI=1S/C21H32O5/c1-11(2)18-14-8-17(22)12(3)13-6-7-21(25,10-26-5)16(13)9-15(14)20(4,24)19(18)23/h9,11-13,15,17,22,24-25H,6-8,10H2,1-5H3/b16-9+/t12-,13+,15-,17+,20-,21+/m1/s1

inchikey

  • XADRPXRDEQKIKB-NDGBSBFFSA-N

mass

  • 364.482

monoisotopicmass

  • 364.22497

smiles

  • O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(=C[C@H]2[C@]1(O)C)[C@](O)(CC3)COC)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (1E,3R,4R,9S,10R,11S,14R)-4,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-5-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214144

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