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Chemistry, part 1

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > 16alpha-hydroxygypsogenate 28-beta-d-glucoside(1-)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > 16alpha-hydroxygypsogenate 28-beta-d-glucoside(1-)

Preferred term

16alpha-hydroxygypsogenate 28-beta-d-glucoside(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C36H55O11

has_functional_parent

inchi

  • InChI=1S/C36H56O11/c1-31(2)13-14-36(30(45)47-28-27(42)26(41)25(40)20(17-37)46-28)19(15-31)18-7-8-21-32(3)11-10-23(38)35(6,29(43)44)22(32)9-12-33(21,4)34(18,5)16-24(36)39/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/p-1/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28+,32+,33+,34+,35-,36+/m0/s1

inchikey

  • HLXPBKFHRUAJIQ-WMNZDZEASA-M

mass

  • 663.826

monoisotopicmass

  • 663.37499

smiles

  • O(C(=O)[C@@]12[C@@H](C[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C)O)[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

subset

  • 2_STAR

synonym RELATED

  • 16alpha-hydroxygypsogenate 28-beta-D-glucoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167135

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