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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 > alcohol > secondary alcohol > davotremulane a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > davotremulane a

Preferred term

davotremulane a  

Type

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

Broader concept

charge

  • 0

formula

  • C15H24O5

inchi

  • InChI=1S/C15H24O5/c1-8-10-4-15(2,7-17)5-11(10)12(6-16)9(14(19)20)3-13(8)18/h8-10,13,16-18H,3-7H2,1-2H3,(H,19,20)/t8-,9+,10-,13-,15+/m1/s1

inchikey

  • ZYNJFACURHYFIC-PGZHFOILSA-N

mass

  • 284.352

monoisotopicmass

  • 284.16237

smiles

  • O=C(O)[C@@H]1C(=C2[C@H](C[C@@](C2)(CO)C)[C@H]([C@@H](C1)O)C)CO

subset

  • 2_STAR

synonym EXACT

  • (2S,5S,7R,8R,8aR)-7-hydroxy-2,4-bis(hydroxymethyl)-2,8-dimethyl-3,5,6,7,8,8a-hexahydro-1H-azulene-5-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220044

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