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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 > [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4ar,6as,6br,9r,10r,11s,12ar)-2-formyl-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
... > 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 > [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4ar,6as,6br,9r,10r,11s,12ar)-2-formyl-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4ar,6as,6br,9r,10r,11s,12ar)-2-formyl-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4ar,6as,6br,9r,10r,11s,12ar)-2-formyl-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Preferred term

[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4ar,6as,6br,9r,10r,11s,12ar)-2-formyl-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate  

Type

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

Broader concept

charge

  • 0

formula

  • C41H64O15

inchi

  • InChI=1S/C41H64O15/c1-36(18-43)10-12-41(35(52)56-34-31(51)29(49)28(48)24(16-42)54-34)13-11-39(4)20(21(41)14-36)6-7-26-37(2)15-22(45)32(55-33-30(50)27(47)23(46)17-53-33)38(3,19-44)25(37)8-9-40(26,39)5/h6,18,21-34,42,44-51H,7-17,19H2,1-5H3/t21?,22-,23+,24+,25?,26?,27-,28+,29-,30+,31+,32-,33-,34-,36?,37-,38-,39+,40+,41-/m0/s1

inchikey

  • XMIDHJQDTWKJIZ-ZEMGKMIXSA-N

mass

  • 796.948

monoisotopicmass

  • 796.42452

smiles

  • O([C@@H]1[C@](C2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CCC(C5)(C)C=O)C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=O)=CC3)C)(CC2)C)(C[C@@H]1O)C)(CO)C)[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bR,9R,10R,11S,12aR)-2-ormyl-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181990

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