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

Preferred term

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

  • C34H36O11

inchi

  • InChI=1S/C34H36O11/c1-14-31(36)29-21(12-43-14)32(37)25-19(8-17(39-4)10-23(25)41-6)27(29)28-20-9-18(40-5)11-24(42-7)26(20)33(38)22-13-44-15(2)34(30(22)28)45-16(3)35/h8-11,14-15,31,34,36-38H,12-13H2,1-7H3/t14-,15-,31+,34+/m0/s1

inchikey

  • UIXDBHLNQHECCU-KCVUBSRHSA-N

mass

  • 620.651

monoisotopicmass

  • 620.22576

smiles

  • O=C(O[C@H]1C2=C(C=3C=4C(C(O)=C5C3[C@H](O)[C@H](C)OC5)=C(OC)C=C(C4)OC)C=6C(=C(OC)C=C(C6)OC)C(=C2CO[C@H]1C)O)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211440

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