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Concept information

Preferred term

vandateroside ii, (-)-  

Type

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

Broader concept

charge

  • 0

formula

  • C37H44O18

has_role

inchi

  • InChI=1S/C37H44O18/c38-15-25-28(42)30(44)32(46)34(54-25)52-23-9-3-20(4-10-23)17-50-27(41)14-37(49,13-19-1-7-22(40)8-2-19)36(48)51-18-21-5-11-24(12-6-21)53-35-33(47)31(45)29(43)26(16-39)55-35/h1-12,25-26,28-35,38-40,42-47,49H,13-18H2/t25-,26-,28-,29-,30+,31+,32-,33-,34-,35-,37-/m1/s1

inchikey

  • DGKISHSPYWCSLM-VODBULHWSA-N

mass

  • 776.73450

monoisotopicmass

  • 776.25276

smiles

  • OC[C@H]1O[C@@H](Oc2ccc(COC(=O)C[C@](O)(Cc3ccc(O)cc3)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67355

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