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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > isopenicillide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > isopenicillide
... > 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 aromatic compound > aromatic ether > isopenicillide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > isopenicillide

Preferred term

isopenicillide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24O7

inchi

  • InChI=1S/C21H24O7/c1-11-7-12-10-27-20(24)17-16(28-18(12)14(22)8-11)6-5-13(19(17)26-4)15(23)9-21(2,3)25/h5-8,15,22-23,25H,9-10H2,1-4H3/t15-/m0/s1

inchikey

  • VEFXEQGGTGFPCA-HNNXBMFYSA-N

mass

  • 388.416

monoisotopicmass

  • 388.15220

smiles

  • O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@@H](O)CC(O)(C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(1S)-1,3-dihydroxy-3-methylbutyl]-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218144

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