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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 > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > aucubigenin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > aucubigenin

Preferred term

aucubigenin  

Type

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

Broader concept

charge

  • 0

formula

  • C9H12O4

inchi

  • InChI=1S/C9H12O4/c10-4-5-3-7(11)6-1-2-13-9(12)8(5)6/h1-3,6-12H,4H2/t6-,7+,8+,9+/m0/s1

inchikey

  • BACWCXKATFIVFS-JQCXWYLXSA-N

mass

  • 184.191

monoisotopicmass

  • 184.07356

smiles

  • O1[C@@H](O)[C@]2([C@]([C@H](O)C=C2CO)(C=C1)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229063

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