(Q105143157)

English

(2R,3R,4S,5S,6R)-2-[(E)-3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-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

(2R,3R,4S,5S,6R)-2-[(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

538.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5S,6R)-2-[(E)-3-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-Methoxy-4-[(1S,2R)-1,3-dihydroxy-2-[2-methoxy-4-[(Z)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenoxy]propyl]phenol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S,4S,5R,6S)-2-[(E)-3-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[(E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[(E)-3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₁₂

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=CC=C(C=CCOC3OC(CO)C(O)C(O)C3O)C=C2OC)CO

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isomeric SMILES

COc1cc([C@H](O)[C@H](CO)Oc2ccc(/C=C/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OC)ccc1O

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found in taxon

Breynia rostrata

1 reference

stated in

Glycosides from Breynia fruticosa and Breynia rostrata

Iodes cirrhosa

1 reference

stated in

Glycosides from the root of Iodes cirrhosa

Identifiers

InChI

InChI=1S/C26H34O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20-,21+,22-,23+,24-,25+,26+/m0/s1

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InChIKey

KMRNHQMTDWXUBS-MHCHAHLESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KMRNHQMTDWXUBS-MHCHAHLESA-N

(Q105143157)

(2R,3R,4S,5S,6R)-2-[(E)-3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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