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Concept information

Preferred term

spinoside a  

Type

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

Broader concept

charge

  • 0

formula

  • C39H56O12

inchi

  • InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1

inchikey

  • UODJOGKPOAZZHT-OCCINUARSA-N

mass

  • 716.856

monoisotopicmass

  • 716.37718

smiles

  • CC(=O)O[C@H]1CO[C@@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)[C@H](OC(C)=O)[C@H]1O

subset

  • 2_STAR

synonym EXACT

  • Spinoside A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9229

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