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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > oxacycle > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > oxacycle > furans > butenolide > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > oxacycle > lactone > steroid lactone > cardenolides > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
... > organooxygen compound > oxacycle > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > (3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide

Preferred term

(3beta,9xi)-3-(beta-d-glucopyranosyloxy)-14-hydroxycard-20(22)-enolide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H44O9

inchi

  • InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17-,18+,19?,20+,21+,23+,24-,25+,26+,27-,28+,29-/m0/s1

inchikey

  • CMHWMOGWFZWDMR-GRIHHVLPSA-N

mass

  • 536.662

monoisotopicmass

  • 536.29853

smiles

  • O[C@@]12[C@]3(C([C@@]4(C(CC3)C[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CC4)C)CC[C@@]1([C@H](CC2)C=6COC(=O)C6)C)[H]

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,8R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183683

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