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Concept information

Preferred term

beta-d-gentiobiosyl beta-d-glucosyl crocetin  

Type

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

Broader concept

charge

  • 0

formula

  • C38H54O19

inchi

  • InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1

inchikey

  • CZSBHMFVVLYIQQ-DRVLGOCHSA-N

mass

  • 814.82400

monoisotopicmass

  • 814.32593

smiles

  • CC(/C=C/C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(C)/C=C/C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • beta-D-gentiobiosyl beta-D-glucosyl crocetin

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62771

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