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Chemistry, part 2

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 2-[[(3s)-5-[(3s)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > 2-[[(3s)-5-[(3s)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
... > 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 > 2-[[(3s)-5-[(3s)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > 2-[[(3s)-5-[(3s)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

Preferred term

2-[[(3s)-5-[(3s)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-5-yl]-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C44H54O18

inchi

  • InChI=1S/C44H54O18/c1-17-7-21-25(15-57-17)35(47)33-23(9-19(11-27(33)53-3)59-43-39(51)37(49)41(55-5)29(13-45)61-43)31(21)32-22-8-18(2)58-16-26(22)36(48)34-24(32)10-20(12-28(34)54-4)60-44-40(52)38(50)42(56-6)30(14-46)62-44/h9-12,17-18,29-30,37-52H,7-8,13-16H2,1-6H3/t17-,18-,29?,30?,37?,38?,39?,40?,41?,42?,43?,44?/m0/s1

inchikey

  • ZISVHQQMROKAEL-FPYMMUKQSA-N

mass

  • 870.898

monoisotopicmass

  • 870.33101

smiles

  • O1C(OC=2C=C(OC)C3=C(O)C=4CO[C@H](CC4C(=C3C2)C=5C=6C(C(O)=C7C5C[C@H](C)OC7)=C(OC)C=C(C6)OC8OC(C(OC)C(C8O)O)CO)C)C(O)C(O)C(C1CO)OC

subset

  • 2_STAR

synonym EXACT

  • 2-[[(3S)-5-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209404

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