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Concept information

organooxygen compound > oxacycle > naphthofuran > (3b,6b,8b,12a)-8,12-epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > (3b,6b,8b,12a)-8,12-epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > (3b,6b,8b,12a)-8,12-epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol

Preferred term

(3b,6b,8b,12a)-8,12-epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C22H34O6

inchi

  • InChI=1S/C22H34O6/c1-8-12(2)19(24)27-18-17-13(3)20(25-6)28-22(17,26-7)11-15-9-10-16(23)14(4)21(15,18)5/h8,14-16,18,20,23H,9-11H2,1-7H3/b12-8+

inchikey

  • MEKWGZJWKCYLQM-XYOKQWHBSA-N

mass

  • 394.508

monoisotopicmass

  • 394.23554

smiles

  • O1C2(OC)CC3C(C(C(O)CC3)C)(C(OC(=O)/C(/C)=C/C)C2=C(C1OC)C)C

subset

  • 2_STAR

synonym EXACT

  • (6-hydroxy-2,9a-dimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172633

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