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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 > (2r,2'r,3s,3's)-2,2',3,3'-tetrahydroxy-beta,beta-carotene-4,4'-dione
... > 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 > (2r,2'r,3s,3's)-2,2',3,3'-tetrahydroxy-beta,beta-carotene-4,4'-dione

Preferred term

(2r,2'r,3s,3's)-2,2',3,3'-tetrahydroxy-beta,beta-carotene-4,4'-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C40H52O6

inchi

  • InChI=1S/C40H52O6/c1-25(17-13-19-27(3)21-23-31-29(5)33(41)35(43)37(45)39(31,7)8)15-11-12-16-26(2)18-14-20-28(4)22-24-32-30(6)34(42)36(44)38(46)40(32,9)10/h11-24,35-38,43-46H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,25-15+,26-16+,27-19+,28-20+/t35-,36-,37+,38+/m1/s1

inchikey

  • YKKUKLUVLWQEBJ-RWLMSABTSA-N

mass

  • 628.850

monoisotopicmass

  • 628.37639

smiles

  • O[C@@H]1C(C(=C(C(=O)[C@H]1O)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C([C@@H](O)[C@H](O)C(=O)C2C)(C)C)/C)/C)(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177675

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