(Q105131233)

English

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

group of stereoisomers with the chemical formula C₃₄H₄₄O₁₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

756.247679188 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₄O₁₉

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=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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found in taxon

Callicarpa macrophylla

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stated in

A new phenylethanoid glycoside from the fruits of Callicarpa japonica Thunb. var. luxurians Rehd.

Marrubium vulgare

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stated in

Acylated flavonoid and phenylethanoid glycosides from Marrubium velutinum

Barleria

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stated in

Iridoid glucosides from Barleria lupulina

Phlomis brunneogaleata

1 reference

stated in

Phlomisflavosides A and B, new flavonol bisglycosides from Phlomis spinidens.

Identifiers

InChI

InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3

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InChIKey

JMBINOWGIHWPJI-UHFFFAOYSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JMBINOWGIHWPJI-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0252461

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JMBINOWGIHWPJI-UHFFFAOYSA-N

Probes And Drugs ID

PD065158

0 references

(Q105131233)

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

Statements

Identifiers

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