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

Preferred term

xylaguaianol a  

Type

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

Broader concept

charge

  • 0

formula

  • C15H28O4

inchi

  • InChI=1S/C15H28O4/c1-13(17)6-4-10(15(3,19)9-16)8-12-11(13)5-7-14(12,2)18/h10-12,16-19H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15+/m0/s1

inchikey

  • YPCHDQUGYDAPIS-PKCACUDHSA-N

mass

  • 272.385

monoisotopicmass

  • 272.19876

smiles

  • O[C@]1([C@@H]2[C@@H]([C@@](O)(C)CC2)C[C@H](CC1)[C@](O)(CO)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3aS,4R,7S,8aS)-7-[(2S)-1,2-dihydroxypropan-2-yl]-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213076

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