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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 > sesquiterpenoid > cubentriol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > cubentriol

Preferred term

cubentriol  

Type

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

Broader concept

charge

  • 0

formula

  • C20H34O3

inchi

  • InChI=1S/C20H34O3/c1-11-13(21)8-14(22)19(5)12-6-7-20(11,19)10-18(4)9-15(23)17(2,3)16(12)18/h11-16,21-23H,6-10H2,1-5H3/t11-,12-,13+,14+,15+,16-,18-,19+,20+/m1/s1

inchikey

  • HHWKNOVKWCABEV-MIORRFSHSA-N

mass

  • 322.489

monoisotopicmass

  • 322.25079

smiles

  • O[C@@H]1[C@]2([C@]3([C@H](C)[C@H](C1)O)C[C@]4(C[C@@H](C([C@H]4[C@H]2CC3)(C)C)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,5S,7S,8R,9R,10S,12S,13S)-3,6,6,9,13-pentamethyltetracyclo[6.5.2.01,9.03,7]pentadecane-5,10,12-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202015

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