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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 > triterpenoid saponin > panaxatriol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > triterpenoid saponin > panaxatriol
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > panaxatriol
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > panaxatriol

Preferred term

panaxatriol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H52O4

inchi

  • InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1

inchikey

  • QFJUYMMIBFBOJY-UXZRXANASA-N

mass

  • 476.742

monoisotopicmass

  • 476.38656

smiles

  • O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@]([C@H](O)C3)(C([C@@H](O)CC4)(C)C)[H])C)(C1)[H])C)(CC[C@@]2([C@@]5(OC(CCC5)(C)C)C)[H])C)[H]

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,6R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169087

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