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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > [(3s,4s)-6-[(3s,4s)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-4-yl] acetate
... > 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 > phenylpropanoid > lignan > [(3s,4s)-6-[(3s,4s)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-4-yl] acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > [(3s,4s)-6-[(3s,4s)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-4-yl] acetate

Preferred term

[(3s,4s)-6-[(3s,4s)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-4-yl] acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C35H36O12

inchi

  • InChI=1S/C35H36O12/c1-14-34(46-16(3)36)19-10-21-27(24(38)11-26(43-7)29(21)32(39)22(19)12-44-14)30-20-8-18(41-5)9-25(42-6)28(20)33(40)23-13-45-15(2)35(31(23)30)47-17(4)37/h8-11,14-15,34-35,38-40H,12-13H2,1-7H3/t14-,15-,34+,35+/m0/s1

inchikey

  • IZLFEUFLSMAFJZ-GRHZFMAYSA-N

mass

  • 648.661

monoisotopicmass

  • 648.22068

smiles

  • O=C(O[C@H]1C2=C(C3=C(O)C=C(OC)C=4C3=CC=5[C@H](OC(=O)C)[C@H](C)OCC5C4O)C=6C(=C(OC)C=C(C6)OC)C(=C2CO[C@H]1C)O)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,4S)-6-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211727

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