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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > (3s,3'r,4xi)-beta,beta-carotene-3,3',4-triol

Preferred term

(3s,3'r,4xi)-beta,beta-carotene-3,3',4-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C40H56O3

inchi

  • InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+

inchikey

  • RNQDFWZVKBSPOZ-ROKXECAJSA-N

mass

  • 584.885

monoisotopicmass

  • 584.42295

smiles

  • OC1CC(C(=C(C1O)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(CC(O)CC2C)(C)C)/C)/C)(C)C

subset

  • 2_STAR

synonym EXACT

  • 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230431

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