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Chemistry, part 1

Content language

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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 > organic hydroxy compound > phenols > hydroxybenzaldehyde > cylindrol a5
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzaldehyde > cylindrol a5
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzaldehyde > cylindrol a5
organic aromatic compound > phenols > hydroxybenzaldehyde > cylindrol a5
... > organooxygen compound > carbonyl compound > aldehyde > arenecarbaldehyde > benzaldehydes > hydroxybenzaldehyde > cylindrol a5
organic aromatic compound > arenecarbaldehyde > benzaldehydes > hydroxybenzaldehyde > cylindrol a5

Preferred term

cylindrol a5  

Type

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

Broader concept

charge

  • 0

formula

  • C27H37ClO6

inchi

  • InChI=1S/C27H37ClO6/c1-7-8-23(31)34-22(13-27(6)16(3)10-12-21(30)18(27)5)15(2)9-11-19-25(32)20(14-29)17(4)24(28)26(19)33/h9,14,16,18,22,32-33H,7-8,10-13H2,1-6H3/b15-9+/t16-,18+,22+,27+/m0/s1

inchikey

  • OVAYZZYVDNDIDK-HSZZYRCNSA-N

mass

  • 493.040

monoisotopicmass

  • 492.22787

smiles

  • ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/[C@H](OC(=O)CCC)C[C@]2([C@@H](C(=O)CC[C@@H]2C)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • [(E,2R)-5-(3-chloro-5-ormyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] butanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201927

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