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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 > lipid > fatty acid derivative > icosanoid > prostanoid > gloeophyllin j

Preferred term

gloeophyllin j  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O7

inchi

  • InChI=1S/C32H50O7/c1-18(2)19(3)9-10-20(4)22-11-14-26(35)31(22,7)28(39-21(5)33)17-23-24(34)12-13-25-30(23,6)16-15-27(36)32(25,8)29(37)38/h18,20,22-23,25,27-28,36H,3,9-17H2,1-2,4-8H3,(H,37,38)/t20-,22+,23-,25-,27+,28+,30-,31+,32+/m1/s1

inchikey

  • HUAXMYCKJKYAPN-XTHFFBCUSA-N

mass

  • 546.745

monoisotopicmass

  • 546.35565

smiles

  • O=C1[C@H]([C@@]2([C@H]([C@](C(=O)O)([C@@H](O)CC2)C)CC1)C)C[C@H](OC(=O)C)[C@@]3(C(=O)CC[C@H]3[C@@H](CCC(=C)C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,4aS,5S,8aR)-5-[(2S)-2-acetyloxy-2-[(1R,2S)-1-methyl-2-[(2R)-6-methyl-5-methylideneheptan-2-yl]-5-oxocyclopentyl]ethyl]-2-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211991

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