(Q105116207)

English

(2S,3R,4S,5R,6R)-2-[4-[(2R,3S)-5-[(1R,2S)-1,3-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-[5-[1,3-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

660.24180596 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4S,5S,6R)-2-[4-[(2R,3S)-5-[(1S,2R)-1,3-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₁₄

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C(CO)C(O)C2=CC(OC)=C3OC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4)C(C3=C2)CO

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isomeric SMILES

COc1cc([C@@H](CO)[C@@H](O)c2cc(OC)c3c(c2)[C@@H](CO)[C@H](c2ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(OC)c2)O3)ccc1O

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found in taxon

Iodes cirrhosa

1 reference

stated in

Glycosides from the root of Iodes cirrhosa

Identifiers

InChI

InChI=1S/C33H40O14/c1-42-23-9-15(4-6-21(23)37)19(12-34)27(38)17-8-18-20(13-35)31(47-32(18)25(11-17)44-3)16-5-7-22(24(10-16)43-2)45-33-30(41)29(40)28(39)26(14-36)46-33/h4-11,19-20,26-31,33-41H,12-14H2,1-3H3/t19-,20-,26-,27+,28+,29+,30-,31+,33-/m1/s1

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InChIKey

INHOOZJIXKSZFG-KZACDRMVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

INHOOZJIXKSZFG-KZACDRMVSA-N

(Q105116207)

(2S,3R,4S,5R,6R)-2-[4-[(2R,3S)-5-[(1R,2S)-1,3-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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