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Chemistry, part 1

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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 > alcohol > tertiary alcohol > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
organic aromatic compound > aromatic ether > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
organooxygen compound > ester > carboxylic ester > methyl ester > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > (3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine

Preferred term

(3r)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26N2O4

has_functional_parent

has_role

inchi

  • InChI=1S/C22H26N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,18,26H,4,9-11,13H2,1-3H3/t18-,20-,21-,22+/m0/s1

inchikey

  • ADHQBWGHPFFYKI-JKLQHZFJSA-N

is_conjugate_base_of

mass

  • 382.454

monoisotopicmass

  • 382.18926

smiles

  • [C@@]123C(=NC4=C1C=CC(=C4)OC)[C@](C[C@]5([C@@]2(N(CC=C5)CC3)[H])CC)(C(=O)OC)O

subset

  • 3_STAR

synonym EXACT

  • methyl (3beta,5alpha,12beta,19alpha)-3-hydroxy-16-methoxy-1,2,6,7-tetradehydroaspidospermidine-3-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137485

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