(Q105137408)

English

(2R,3S,4S,5S,6R)-2-[4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-methyloxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-{4-[3-(hydroxymethyl)-4-({3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)oxolan-2-yl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

652.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₁₄

0 references

canonical SMILES

OCC1C(OCC1CC2=CC=C(OC3OC(C)C(O)C(O)C3O)C(OC)=C2)C4=CC=C(OC5OC(C)C(O)C(O)C5O)C(OC)=C4

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isomeric SMILES

COc1cc([C@H]2OC[C@H](Cc3ccc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c(OC)c3)[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

0 references

found in taxon

Parsonsia alboflavescens

1 reference

stated in

Lignan glycosides from Parsonsia laevigata

Identifiers

InChI

InChI=1S/C32H44O14/c1-14-24(34)26(36)28(38)31(43-14)45-20-7-5-16(10-22(20)40-3)9-18-13-42-30(19(18)12-33)17-6-8-21(23(11-17)41-4)46-32-29(39)27(37)25(35)15(2)44-32/h5-8,10-11,14-15,18-19,24-39H,9,12-13H2,1-4H3/t14-,15+,18+,19+,24-,25+,26+,27-,28+,29-,30-,31-,32+/m1/s1

0 references

InChIKey

JZHXOAXXNPDIQF-INUDIHCOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JZHXOAXXNPDIQF-INUDIHCOSA-N

(Q105137408)

(2R,3S,4S,5S,6R)-2-[4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-methyloxane-3,4,5-triol

Statements

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