(Q105112233)

English

[(2R,3R,4S,5R,6S)-3,4-Diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3,4-bis(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

824.195249692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₃₆O₁₇

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canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(OC(=O)C=CC5=CC=C(O)C=C5)C(OC(=O)C)C1OC(=O)C)C=CC6=CC=C(O)C=C6

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O

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found in taxon

Quercus ilex

1 reference

stated in

Proanthocyanidin glycosides from the leaves of Quercus ilex L. (Fagaceae)

Quercus laurifolia

1 reference

stated in

Constituents of Cupuliferae, XVII: Triterpene Saponins and Falvonoids fromQuercus laurifolia Michx.

Quercus robur

1 reference

stated in

Inhaltsstoffe von Fagaceae (Cupuliferae), 19. Mitt.: Triterpensaponine und Acylflavonoide ausQuercus robur var. stenocarpa Beck.

Quercus suber

1 reference

stated in

Constituents of cupuliferae, XIII: New and revised structures of acylated flavonoids from Quercus Suber L.

Identifiers

InChI

InChI=1S/C43H36O17/c1-22(44)55-39-33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41(39)56-23(2)45)59-35(52)18-8-25-5-13-28(47)14-6-25)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8+/t33-,39-,41+,42-,43+/m1/s1

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InChIKey

IFLHDGGEJKVLAF-FEMPFSAESA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

IFLHDGGEJKVLAF-FEMPFSAESA-N

(Q105112233)

[(2R,3R,4S,5R,6S)-3,4-Diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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