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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 > terpene glycoside > triterpenoid saponin > 3beta-/{o-d-glucopyranosyl-(1_2)-[o-alpha-l-arabinopyranosyl(1_6)]beta-d-glucopyranosyloxy/}-machaerinic acid _-lactone
... > 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 > 3beta-/{o-d-glucopyranosyl-(1_2)-[o-alpha-l-arabinopyranosyl(1_6)]beta-d-glucopyranosyloxy/}-machaerinic acid _-lactone
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > 3beta-/{o-d-glucopyranosyl-(1_2)-[o-alpha-l-arabinopyranosyl(1_6)]beta-d-glucopyranosyloxy/}-machaerinic acid _-lactone
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 3beta-/{o-d-glucopyranosyl-(1_2)-[o-alpha-l-arabinopyranosyl(1_6)]beta-d-glucopyranosyloxy/}-machaerinic acid _-lactone

Preferred term

3beta-/{o-d-glucopyranosyl-(1_2)-[o-alpha-l-arabinopyranosyl(1_6)]beta-d-glucopyranosyloxy/}-machaerinic acid _-lactone  

Type

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

Broader concept

charge

  • 0

formula

  • C47H74O17

inchi

  • InChI=1S/C47H74O17/c1-42(2)16-22-21-8-9-27-44(5)12-11-28(43(3,4)26(44)10-13-46(27,7)45(21,6)14-15-47(22)17-29(42)63-41(47)57)62-40-37(64-39-36(56)33(53)31(51)24(18-48)60-39)34(54)32(52)25(61-40)20-59-38-35(55)30(50)23(49)19-58-38/h8,22-40,48-56H,9-20H2,1-7H3/t22-,23+,24-,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,44+,45-,46-,47-/m1/s1

inchikey

  • CMQUDKMXEKUQCJ-NANHUEAYSA-N

mass

  • 911.092

monoisotopicmass

  • 910.49260

smiles

  • O1[C@H]2C[C@]3([C@@H](C=4[C@]([C@]5([C@@H]([C@@]6([C@@H](CC5)C([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CO[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)CC6)(C)C)C)CC4)C)(CC3)C)CC2(C)C)C1=O

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,5R,8R,10S,13R,14R,18R,21S)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5,9,9,13,20,20-heptamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230237

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