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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 > terpene glycoside > 4-[4-hydroxy-2,6,6-trimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > 4-[4-hydroxy-2,6,6-trimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > 4-[4-hydroxy-2,6,6-trimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one

Preferred term

4-[4-hydroxy-2,6,6-trimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C19H32O8

inchi

  • InChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h12-18,20,22-25H,5-8H2,1-4H3/t12?,13-,14-,15+,16-,17?,18+/m1/s1

inchikey

  • JVIDANAJZDBKRL-FJUMDGKUSA-N

mass

  • 388.457

monoisotopicmass

  • 388.20972

smiles

  • O(C1C(O)CC(C(=C1C)CCC(=O)C)(C)C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO

subset

  • 2_STAR

synonym EXACT

  • 4-[4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181603

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