(Q105212373)

English

[(2R,3R,4S,5R,6R)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-1-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[3-(3,4-Dihydroxyphenyl)prop-1-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

410.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₉

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canonical SMILES

O=C(OC1C(O)C(OC=CCC2=CC=C(O)C(O)=C2)OC(CO)C1O)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O/C=C\Cc2ccc(O)c(O)c2)[C@@H]1O

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found in taxon

Paranephelius uniflorus

1 reference

stated in

Unusual phenylpropanoid glycosides from paranephelius uniflorus

Identifiers

InChI

InChI=1S/C20H26O9/c1-11(2)8-16(24)29-19-17(25)15(10-21)28-20(18(19)26)27-7-3-4-12-5-6-13(22)14(23)9-12/h3,5-9,15,17-23,25-26H,4,10H2,1-2H3/b7-3-/t15-,17-,18-,19+,20-/m1/s1

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InChIKey

POFNIOAWPQMQDC-YTPSTJQASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POFNIOAWPQMQDC-YTPSTJQASA-N

(Q105212373)

[(2R,3R,4S,5R,6R)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-1-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-methylbut-2-enoate

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