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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 > triterpenoid > 9(11)-dehydromanogenin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 9(11)-dehydromanogenin

Preferred term

9(11)-dehydromanogenin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O5

inchi

  • InChI=1S/C27H40O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h11,14-17,19-22,24,28-29H,5-10,12-13H2,1-4H3/t14-,15-,16-,17?,19?,20+,21+,22-,24-,25-,26+,27+/m0/s1

inchikey

  • LXLRCWVAWYFQIU-SIJSCITFSA-N

mass

  • 444.612

monoisotopicmass

  • 444.28757

smiles

  • O1[C@@]2([C@@]([C@@]3(C(C4C([C@@]5([C@@](CC4)(C[C@@H](O)[C@H](O)C5)[H])C)=CC3=O)C2)C)([C@@H]([C@]16OC[C@H](CC6)C)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (4S,5'S,6R,7S,8R,9S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182586

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