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Chemistry, part 2

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > beta-d-glucopyranoside, 2-methoxy-4-[(1s,2s,3s)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > beta-d-glucopyranoside, 2-methoxy-4-[(1s,2s,3s)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl
... > 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 > beta-d-glucopyranoside, 2-methoxy-4-[(1s,2s,3s)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > beta-d-glucopyranoside, 2-methoxy-4-[(1s,2s,3s)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl

Preferred term

beta-d-glucopyranoside, 2-methoxy-4-[(1s,2s,3s)-1,2,3,4-tetrahydro-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]phenyl  

Type

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

Broader concept

charge

  • 0

formula

  • C26H34O12

inchi

  • InChI=1S/C26H34O12/c1-35-18-6-13-8-26(34,11-29)15(9-27)21(14(13)7-16(18)30)12-3-4-17(19(5-12)36-2)37-25-24(33)23(32)22(31)20(10-28)38-25/h3-7,15,20-25,27-34H,8-11H2,1-2H3/t15-,20-,21+,22-,23+,24-,25-,26-/m1/s1

inchikey

  • CBHWSKLIWKFSRU-MNAFQOMLSA-N

mass

  • 538.546

monoisotopicmass

  • 538.20503

smiles

  • O[C@@]1([C@@H]([C@H](C=2C(C1)=CC(OC)=C(O)C2)C3=CC(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C3)CO)CO

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4S,5S,6R)-2-[4-[(1S,2S,3S)-3,7-dihydroxy-2,3-bis(hydroxymethyl)-6-methoxy-2,4-dihydro-1H-naphthalen-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182993

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