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

Preferred term

myrothecisin d  

Type

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

Broader concept

charge

  • 0

formula

  • C23H32O5

inchi

  • InChI=1S/C23H32O5/c1-13-5-6-17-18(7-8-20(27)22(17,2)3)23(13,4)10-15-19(26)9-14(11-24)16(12-25)21(15)28/h7,9,12-13,17,20,24,26-28H,5-6,8,10-11H2,1-4H3/t13-,17-,20+,23-/m1/s1

inchikey

  • KCAICXOYUFVURO-OQAKAONOSA-N

mass

  • 388.504

monoisotopicmass

  • 388.22497

smiles

  • O=CC1=C(O)C(=C(O)C=C1CO)C[C@]2(C3=CC[C@H](O)C([C@@H]3CC[C@H]2C)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • 3-[[(1R,2R,4aR,6S)-6-hydroxy-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methyl]-2,4-dihydroxy-6-(hydroxymethyl)benzaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214305

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