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Concept information

Preferred term

calcein  

Type

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

Broader concept

charge

  • 0

formula

  • C30H26N2O13

has_functional_parent

has_role

inchi

  • InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

inchikey

  • DEGAKNSWVGKMLS-UHFFFAOYSA-N

mass

  • 622.53312

monoisotopicmass

  • 622.14349

smiles

  • OC(=O)CN(CC(O)=O)Cc1cc2c(Oc3cc(O)c(CN(CC(O)=O)CC(O)=O)cc3C22OC(=O)c3ccccc23)cc1O

subset

  • 3_STAR

synonym EXACT

  • 2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylenenitrilo)]tetraacetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51903

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