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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 > organic hydroxy compound > bryononic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > bryononic acid

Preferred term

bryononic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O3

inchi

  • InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1

inchikey

  • BHVJSLPLFOAMEV-FPLINDMSSA-N

mass

  • 456.711

monoisotopicmass

  • 456.36035

smiles

  • O[C@@H]1C([C@]2([C@@](C3=C([C@@]4([C@]([C@]5([C@@](CC4)(CC[C@@](C5)(C)C(O)=O)C)[H])(CC3)C)C)CC2)(CC1)C)[H])(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172017

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