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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,3s,2′r,3′r)-2,3,2′,3′-tetrahydroxy-beta,beta-caroten-4-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 > (2r,3s,2′r,3′r)-2,3,2′,3′-tetrahydroxy-beta,beta-caroten-4-one

Preferred term

(2r,3s,2′r,3′r)-2,3,2′,3′-tetrahydroxy-beta,beta-caroten-4-one  

Type

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

Broader concept

charge

  • 0

formula

  • C40H54O5

inchi

  • InChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,36-,37+,38+/m1/s1

inchikey

  • XJWXMPXLYUAWJI-LKWSRBIKSA-N

mass

  • 614.867

monoisotopicmass

  • 614.39712

smiles

  • O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](O)[C@@H](C2(C)C)O)C)/C)/C)/C)/C)C(C)(C)[C@H]([C@@H]1O)O)C

subset

  • 2_STAR

synonym EXACT

  • (5R,6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexen-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:224061

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