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Concept information

organooxygen compound > ester > diester > arabidopside d

Preferred term

arabidopside d  

Type

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

charge

  • 0

formula

  • C51H80O17

inchi

  • InChI=1S/C51H80O17/c1-3-5-13-21-36-33(25-27-38(36)53)19-15-9-7-11-17-23-42(55)63-30-35(66-43(56)24-18-12-8-10-16-20-34-26-28-39(54)37(34)22-14-6-4-2)31-64-50-49(62)47(60)45(58)41(68-50)32-65-51-48(61)46(59)44(57)40(29-52)67-51/h5-6,13-14,25-28,33-37,40-41,44-52,57-62H,3-4,7-12,15-24,29-32H2,1-2H3/b13-5-,14-6-/t33?,34?,35-,36?,37?,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1

inchikey

  • JFTWMYLCKKDOGZ-KINXKZRZSA-N

mass

  • 965.17070

monoisotopicmass

  • 964.53955

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)CCCCCCCC2C=CC(=O)C2C/C=C/CC)C=CC1=O

subset

  • 3_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73225

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