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Chemistry, part 2

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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 > (3s,3's,5r,5'r,6r)-6,7-didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one
... > 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 > (3s,3's,5r,5'r,6r)-6,7-didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one

Preferred term

(3s,3's,5r,5'r,6r)-6,7-didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one  

Type

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

Broader concept

charge

  • 0

formula

  • C40H56O5

inchi

  • InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)27-40(35,10)45)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36(44)39(9)26-33(42)25-38(39,7)8/h11-23,32-33,41-42,45H,24-27H2,1-10H3/b15-11+,16-12+,18-13+,28-17+,29-19+,30-21-,31-20+,35-22?

inchikey

  • LQWRMACTPVETIT-KQICQZIZSA-N

mass

  • 616.883

monoisotopicmass

  • 616.41277

smiles

  • OC1CC(C(C1)(C)C(=O)/C=C(/[O-])/C(/C)=C/[CH+]/C=C(/C)/C=C/C=C/C(=C/C=C/C(=C/C=C2C(CC(O)CC2(O)C)(C)C)/C)/C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (2Z,4E,7E,9E,11E,13E,15E,17Z)-19-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-1-oxononadeca-2,4,7,9,11,13,15,17-octaen-3-olate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176238

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