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Concept information

Preferred term

adonixanthin 3-glucoside  

Type

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

Broader concept

charge

  • 0

formula

  • C46H64O8

inchi

  • InChI=1S/C46H64O8/c1-29(17-13-19-31(3)21-23-36-33(5)25-35(48)26-45(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(27-46(37,9)10)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39?,41?,42?,43?,44?/m1/s1

inchikey

  • LOISLDIJCYHBBP-NAGSEYDASA-N

mass

  • 744.997

monoisotopicmass

  • 744.46012

smiles

  • O([C@H]1CC(C(=C(C1=O)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@H](O)CC2C)(C)C)/C)/C)(C)C)C3OC(C(O)C(O)C3O)CO

subset

  • 2_STAR

synonym EXACT

  • (3R,3'S)-3-hydroxy-4'-oxo-beta,beta-caroten-3'-yl hexopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141501

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