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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 > organic hydroxy compound > alcohol > tertiary alcohol > 1'-hydroxy-demethylspheroidene
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > 1'-hydroxy-demethylspheroidene
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > diol > 1'-hydroxy-demethylspheroidene
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > diol > 1'-hydroxy-demethylspheroidene
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > tetraterpenoid > carotenoid > xanthophyll > carotenol > 1'-hydroxy-demethylspheroidene
... > 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 > carotenol > 1'-hydroxy-demethylspheroidene

Preferred term

1'-hydroxy-demethylspheroidene  

Type

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

Broader concept

charge

  • 0

formula

  • C40H60O2

has_functional_parent

inchi

  • InChI=1S/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-15,17,19-25,27-29,41-42H,16,18,26,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+

inchikey

  • QWBRVLJPJJNHCQ-SDTALWBMSA-N

mass

  • 572.918

monoisotopicmass

  • 572.45933

smiles

  • C(/C=C/C=C(/C=C/CC(C)(C)O)/C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCCC(C)(C)O)/C)/C)/C)/C)/C

subset

  • 3_STAR

synonym EXACT

  • 1'-hydroxy-demethylspheroidene
  • (3E)-3,4-didehydro-1,1',2,2',7',8'-hexahydro-psi,psi-carotene-1,1'-diol

synonym RELATED

  • 1,1'-dihydroxy-demethylspheroidene
  • 1'-hydroxydemethylspheroidene
  • 1-OH-demethylspheroidene
  • 1-OH-DMS

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143013

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