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

Preferred term

brabetaicicene d  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O5

inchi

  • InChI=1S/C21H30O5/c1-11(2)18-15-8-17(22)12(3)14-6-7-20(24,10-26-5)16(14)9-21(15,25)13(4)19(18)23/h9,11-12,14,17,22,24-25H,4,6-8,10H2,1-3,5H3/b16-9+/t12-,14+,17+,20+,21-/m1/s1

inchikey

  • WRNBXNJPKBYCIY-PIUVDJDPSA-N

mass

  • 362.466

monoisotopicmass

  • 362.20932

smiles

  • O=C1C(=C)[C@]2(O)C=C3[C@](O)(CC[C@H]3[C@H]([C@H](CC2=C1C(C)C)O)C)COC

subset

  • 2_STAR

synonym EXACT

  • (1E,3S,9S,10R,11S,14R)-3,9,14-trihydroxy-14-(methoxymethyl)-10-methyl-4-methylidene-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:205408

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