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Concept information

organooxygen compound > ester > diester > arabidopside c

Preferred term

arabidopside c  

Type

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

charge

  • 0

formula

  • C49H76O17

inchi

  • InChI=1S/C49H76O17/c1-3-5-11-19-34-31(23-25-36(34)51)17-13-8-7-9-15-21-40(53)61-28-33(64-41(54)22-16-10-14-18-32-24-26-37(52)35(32)20-12-6-4-2)29-62-48-47(60)45(58)43(56)39(66-48)30-63-49-46(59)44(57)42(55)38(27-50)65-49/h5-6,11-12,23-26,31-35,38-39,42-50,55-60H,3-4,7-10,13-22,27-30H2,1-2H3/b11-5-,12-6-/t31?,32?,33-,34?,35?,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1

inchikey

  • GXTGTCSHGJLVPW-GUDILZOUSA-N

mass

  • 937.11750

monoisotopicmass

  • 936.50825

smiles

  • CC/C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C/C=C/CC)C=CC1=O

subset

  • 3_STAR

synonym EXACT

  • (2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-2-[(6-{4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoyl)oxy]propyl 8-{4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73221

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