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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,3s,4s,5r,6r)-6-[[(3s,6ar,6bs,8ar,9r,14bs)-9-hydroxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2s,3r,4s,5r)-4,5-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
... > 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,3s,4s,5r,6r)-6-[[(3s,6ar,6bs,8ar,9r,14bs)-9-hydroxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2s,3r,4s,5r)-4,5-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > (2s,3s,4s,5r,6r)-6-[[(3s,6ar,6bs,8ar,9r,14bs)-9-hydroxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2s,3r,4s,5r)-4,5-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > (2s,3s,4s,5r,6r)-6-[[(3s,6ar,6bs,8ar,9r,14bs)-9-hydroxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2s,3r,4s,5r)-4,5-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

Preferred term

(2s,3s,4s,5r,6r)-6-[[(3s,6ar,6bs,8ar,9r,14bs)-9-hydroxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2s,3r,4s,5r)-4,5-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C47H76O17

inchi

  • InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-14-47(20-48)25(43(28,4)5)11-13-46(8)26(47)10-9-22-23-17-42(2,3)18-27(50)44(23,6)15-16-45(22,46)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23?,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,44+,45+,46+,47+/m0/s1

inchikey

  • NOKUIKNJHIHLGT-LMQYYACCSA-N

mass

  • 913.108

monoisotopicmass

  • 912.50825

smiles

  • O([C@@H]1C(C2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)([C@H](O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)CO)(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H]([C@H](O)[C@@H](O)[C@H]8O)C)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,9R,14bS)-9-hydroxy-14b-(hydroxymethyl)-4,4,6a,6b,8a,11,11-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181830

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