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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 > eremopetasitenin c1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > eremopetasitenin c1
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > eremopetasitenin c1
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > eremopetasitenin c1
... > 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 > eremopetasitenin c1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > eremopetasitenin c1
organooxygen compound > ester > lactone > terpene lactone > eremopetasitenin c1
organooxygen compound > oxacycle > lactone > terpene lactone > eremopetasitenin c1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > eremopetasitenin c1
... > 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 > eremopetasitenin c1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > eremopetasitenin c1

Preferred term

eremopetasitenin c1  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O6

inchi

  • InChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7+

inchikey

  • BMPRGPGLZWJNOP-YRNVUSSQSA-N

mass

  • 378.465

monoisotopicmass

  • 378.20424

smiles

  • O(C1C2(C(CC3(OC(=O)C(=C13)C)OC)CCC(O)C2C)C)C(=O)/C(/C)=C/C

subset

  • 2_STAR

synonym EXACT

  • (6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175861

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