(Q105246944)

English

2-(3-Methoxy-4-hydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranoside

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

770.263329252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,4R,5S,6S)-2-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₆O₁₉

0 references

canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(OC)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OCC(O)(CO)C4O)C=CC5=CC=C(O)C(O)=C5

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isomeric SMILES

COc1cc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)ccc1O

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found in taxon

Phlomoides rotata

1 reference

stated in

Phenylpropanoid glycosides from Lamiophlomis rotata

Identifiers

InChI

InChI=1S/C35H46O19/c1-16-25(41)26(42)27(43)33(51-16)54-30-28(44)32(48-10-9-18-4-7-20(38)22(12-18)47-2)52-23(13-49-34-31(45)35(46,14-36)15-50-34)29(30)53-24(40)8-5-17-3-6-19(37)21(39)11-17/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23+,25-,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+/m0/s1

0 references

InChIKey

RXDDCGCFNNKGCJ-WJNRCRFESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RXDDCGCFNNKGCJ-WJNRCRFESA-N

1 reference

(Q105246944)

2-(3-Methoxy-4-hydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranoside

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Identifiers

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