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Chemistry, part 2

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 > isoprenoid > terpenoid > tetraterpenoid > carotenoid > xanthophyll > (3r,3'r,6'r,9'-cis)-b,e-carotene-3,3'-diol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > tetraterpenoid > carotenoid > xanthophyll > (3r,3'r,6'r,9'-cis)-b,e-carotene-3,3'-diol

Preferred term

(3r,3'r,6'r,9'-cis)-b,e-carotene-3,3'-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C40H56O2

inchi

  • InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t35-,36+,37+/m0/s1

inchikey

  • KBPHJBAIARWVSC-OBXOTRKLSA-N

mass

  • 568.886

monoisotopicmass

  • 568.42803

smiles

  • O[C@@H]1CC([C@@H](C(=C1)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

subset

  • 2_STAR

synonym EXACT

  • (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-18-[(1S,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176074

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