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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > spirangien k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > spirangien k
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > spirangien k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > spirangien k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > long-chain fatty acid > spirangien k

Preferred term

spirangien k  

Type

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

Broader concept

charge

  • 0

formula

  • C41H66O9

inchi

  • InChI=1S/C41H66O9/c1-11-26(2)22-28(4)38(46)32(8)40-30(6)34(48-10)25-41(50-40)35(42)23-29(5)39(49-41)31(7)37(45)27(3)20-18-16-14-12-13-15-17-19-21-33(47-9)24-36(43)44/h11-21,27-35,37-40,42,45-46H,22-25H2,1-10H3,(H,43,44)/b13-12+,16-14+,17-15+,20-18-,21-19+,26-11+/t27-,28-,29-,30+,31-,32+,33+,34+,35-,37-,38-,39-,40-,41+/m0/s1

inchikey

  • AFMLAWKHRYYCHM-OHWFJCAKSA-N

mass

  • 702.970

monoisotopicmass

  • 702.47068

smiles

  • O=C(O)C[C@H](OC)/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](O)[C@@H]([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)[C@@H]([C@@H](O)[C@H](C/C(=C/C)/C)C)C)[C@@H](O)C[C@@H]1C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,4E,6E,8E,10E,12Z,14S,15S,16S)-15-hydroxy-16-[(2R,3R,4R,6R,8S,9S,11S)-11-hydroxy-2-[(E,2R,3S,4S)-3-hydroxy-4,6-dimethyloct-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217612

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