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Chemistry, part 3

Content language

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Concept information

chemical entity > chemical substance > mixture > polymer > thermocryptoxanthin-15

Preferred term

thermocryptoxanthin-15  

Type

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

Broader concept

charge

  • 0

formula

  • C61H94O7

inchi

  • InChI=1S/C61H94O7/c1-44(2)27-20-18-16-14-13-15-17-19-21-35-55(62)66-43-54-56(63)57(64)58(65)59(68-54)67-51-41-50(8)53(61(11,12)42-51)39-37-48(6)33-25-31-46(4)29-23-22-28-45(3)30-24-32-47(5)36-38-52-49(7)34-26-40-60(52,9)10/h22-25,28-33,36-39,44,51,54,56-59,63-65H,13-21,26-27,34-35,40-43H2,1-12H3/b23-22+,30-24+,31-25+,38-36+,39-37+,45-28+,46-29+,47-32+,48-33+/t51-,54-,56-,57+,58-,59?/m1/s1

inchikey

  • RDUYXVUZPBWYNT-ISSZXRGHSA-N

mass

  • 939.39490

monoisotopicmass

  • 938.69996

smiles

  • C=1(C(C[C@@H](CC1C)OC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)COC(=O)CCCCCCCCCCCC(C)C)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=3C(CCCC3C)(C)C)/C)/C)/C)/C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80204

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