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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 > 1'-beta-xylosyl-3,2'-dihydroxy-beta,psi-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 > 1'-beta-xylosyl-3,2'-dihydroxy-beta,psi-caroten-4-one

Preferred term

1'-beta-xylosyl-3,2'-dihydroxy-beta,psi-caroten-4-one  

Type

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

Broader concept

charge

  • 0

formula

  • C45H62O8

inchi

  • InChI=1S/C45H62O8/c1-30(16-11-12-17-31(2)19-14-22-33(4)24-26-36-35(6)40(49)37(46)28-44(36,7)8)18-13-20-32(3)21-15-23-34(5)25-27-39(48)45(9,10)53-43-42(51)41(50)38(47)29-52-43/h11-27,37-39,41-43,46-48,50-51H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t37?,38-,39?,41+,42-,43+/m1/s1

inchikey

  • XRPACSITYAFJKI-ZUTDVTDYSA-N

mass

  • 730.983

monoisotopicmass

  • 730.44447

smiles

  • O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(O)C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)(C)C)/C)/C)/C)/C)/C)C(C)(C)CC1O)C

subset

  • 2_STAR

synonym EXACT

  • 6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-hydroxy-3,7,12,16,20,24-hexamethyl-24-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethylcyclohex-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220812

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