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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 > apo carotenoid sesquiterpenoid > (2e,4e)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > apo carotenoid sesquiterpenoid > (2e,4e)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > apo carotenoid > apo carotenoid sesquiterpenoid > (2e,4e)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > apo carotenoid > apo carotenoid sesquiterpenoid > (2e,4e)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

Preferred term

(2e,4e)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O10

inchi

  • InChI=1S/C21H30O10/c1-11(6-15(24)25)4-5-21(29)12(2)7-13(23)8-20(21,3)10-30-19-18(28)17(27)16(26)14(9-22)31-19/h4-7,14,16-19,22,26-29H,8-10H2,1-3H3,(H,24,25)/b5-4+,11-6+/t14-,16-,17+,18-,19-,20?,21?/m1/s1

inchikey

  • NDFUYJPVVCJYNZ-MVIFEUJBSA-N

mass

  • 442.461

monoisotopicmass

  • 442.18390

smiles

  • O(CC1(C(O)(C(=CC(=O)C1)C)/C=C/C(/C)=C/C(O)=O)C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO

subset

  • 2_STAR

synonym EXACT

  • (2E,4E)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181513

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