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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 > steroid > 3-epiecdysone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 3-epiecdysone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 3-epiecdysone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 3-epiecdysone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 3-epiecdysone

Preferred term

3-epiecdysone  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O6

inchi

  • InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22-,23-,25+,26+,27+/m0/s1

inchikey

  • UPEZCKBFRMILAV-LVRQXCCVSA-N

mass

  • 464.63470

monoisotopicmass

  • 464.31379

smiles

  • C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80531

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