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Chemistry, part 2

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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 > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > 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 ester > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
organooxygen compound > ester > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
organooxygen compound > oxacycle > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > 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 heterocyclic compound > oxacycle > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > 3-ethoxy-spinosyn l 17-pseudoaglycone

Preferred term

3-ethoxy-spinosyn l 17-pseudoaglycone  

Type

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

Broader concept

charge

  • 0

formula

  • C35H54O9

inchi

  • InChI=1S/C35H54O9/c1-8-21-11-10-12-29(36)19(4)31(38)28-16-26-24(27(28)17-30(37)43-21)13-18(3)23-14-22(15-25(23)26)44-35-34(40-7)33(41-9-2)32(39-6)20(5)42-35/h13,16,19-27,29,32-36H,8-12,14-15,17H2,1-7H3/t19?,20-,21-,22+,23-,24+,25+,26+,27-,29?,32-,33+,34+,35-/m0/s1

inchikey

  • QTDUHVNIJHBCHA-RAHJGPAHSA-N

mass

  • 618.808

monoisotopicmass

  • 618.37678

smiles

  • O=C1C2=C[C@H]3[C@H]4[C@@H](C[C@H](C4)O[C@@H]5O[C@H]([C@H](OC)[C@H]([C@H]5OC)OCC)C)C(=C[C@H]3[C@@H]2CC(=O)O[C@@H](CC)CCCC(C1C)O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,5R,7S,9S,10S,14R,15S,19S)-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-15-hydroxy-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201530

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