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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 > fucoxanthinol 3-myristoleate
... > 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 > fucoxanthinol 3-myristoleate

Preferred term

fucoxanthinol 3-myristoleate  

Type

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

Broader concept

charge

  • 0

formula

  • C54H80O6

inchi

  • InChI=1S/C54H80O6/c1-12-13-14-15-16-17-18-19-20-21-22-33-49(57)59-46-38-51(8,9)54(53(11,39-46)60-54)40-47(56)44(5)32-26-31-42(3)28-24-23-27-41(2)29-25-30-43(4)34-35-48-50(6,7)36-45(55)37-52(48,10)58/h15-16,23-32,34,45-46,55,58H,12-14,17-22,33,36-40H2,1-11H3/b16-15-,24-23+,29-25+,31-26+,41-27+,42-28+,43-30+,44-32+/t35-,45-,46-,52+,53+,54-/m0/s1

inchikey

  • WLIMRWNKDQUCDB-JKORXHOLSA-N

mass

  • 825.228

monoisotopicmass

  • 824.59549

smiles

  • [C@@]12(C(C[C@@H](C[C@]1(O2)C)OC(=O)CCCCCCC/C=C/CCCC)(C)C)CC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=[C@]=C3C(C[C@@H](C[C@@]3(C)O)O)(C)C)/C)/C)/C)/C)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187868

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