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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > prebetanin

Preferred term

prebetanin  

Type

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

Broader concept

charge

  • 0

formula

  • C24H26N2O16S

has_functional_parent

inchi

  • InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17-,18-,19+,20-,24-/m1/s1

inchikey

  • OZXPZOHWSFDUDY-RYGANQNKSA-N

mass

  • 630.534

monoisotopicmass

  • 630.10030

smiles

  • O[C@@H]1[C@@H](COS([O-])(=O)=O)O[C@@H](Oc2cc3C[C@@H](C(O)=O)/[N+](=C/C=C4C[C@@H](NC(=C/4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@H]1O

subset

  • 2_STAR

synonym EXACT

  • Prebetanin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:8367

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