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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > pyrans > pyranone > peyronellin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > peyronellin a
... > 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 > pyrans > pyranone > peyronellin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > peyronellin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > peyronellin a
... > 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 > organic heteromonocyclic compound > pyrans > pyranone > peyronellin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > peyronellin a

Preferred term

peyronellin a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36O7

inchi

  • InChI=1S/C28H36O7/c1-15-6-7-21-26(3,14-29)8-5-9-27(21,4)19(15)13-28-22(31)12-17(23(32)24(28)35-28)11-18-20(30)10-16(2)34-25(18)33/h6,10,12,19,21-22,24,29-31H,5,7-9,11,13-14H2,1-4H3/t19-,21-,22+,24+,26-,27+,28-/m0/s1

inchikey

  • GMHDEOTYQHLKML-UKCWTKHPSA-N

mass

  • 484.589

monoisotopicmass

  • 484.24610

smiles

  • O=C1OC(=CC(=C1CC=2C(=O)[C@H]3O[C@@]3(C[C@H]4C(=CC[C@@H]5[C@@]4(CCC[C@]5(CO)C)C)C)[C@@H](C2)O)O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,5R,6S)-6-[[(1S,4aR,5R,8aR)-5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-5-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202220

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