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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 > xeromphalinone e

Preferred term

xeromphalinone e  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38O7

inchi

  • InChI=1S/C29H38O7/c1-24(2)7-14-9-26(34)13-19(30)16(20(26)17(14)11-24)5-6-27(35)21(31)22-28(36-22)10-15-8-25(3,4)12-18(15)29(27,28)23(32)33/h14-15,17-18,22,34-35H,5-13H2,1-4H3,(H,32,33)/t14-,15-,17-,18-,22-,26-,27-,28-,29+/m1/s1

inchikey

  • GWNLSSCKIADHTK-JFRXYSSDSA-N

mass

  • 498.616

monoisotopicmass

  • 498.26175

smiles

  • O=C1[C@@](O)([C@@]2(C(=O)O)[C@H]3[C@H](CC(C3)(C)C)C[C@]42[C@@H]1O4)CCC5=C6[C@@](O)(C[C@@H]7[C@H]6CC(C)(C)C7)CC5=O

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,7R,8S,9S,11S)-9-[2-[(3bR,6aR,7aR)-7a-hydroxy-5,5-dimethyl-2-oxo-1,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-3-yl]ethyl]-9-hydroxy-5,5-dimethyl-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-8-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215335

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