(Q105143070)

English

(2S,3R,4R,5R,6S)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4-hydroxy-5-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4-hydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

724.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2'',4''-Di-O-(E-p-Coumaroyl)afzelin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-[2-O-(4-Hydroxy-cis-cinnamoyl)-4-O-(4-hydroxy-trans-cinnamoyl)-alpha-L-rhamnopyranosyloxy]-5,7,4'-trihydroxyflavone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₃₂O₁₄

0 references

canonical SMILES

O=C(OC1C(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)OC(C)C(OC(=O)C=CC5=CC=C(O)C=C5)C1O)C=CC6=CC=C(O)C=C6

0 references

isomeric SMILES

C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C\c1ccc(O)cc1

0 references

found in taxon

Eriobotrya japonica

1 reference

stated in

A new acylated flavonol glycoside from the leaves of Eriobotrya japonica

Rhaphiolepis loquata

1 reference

stated in

A new acylated flavonol glycoside from the leaves of Eriobotrya japonica

Pico

1 reference

stated in

Acylated kaempferol glycosides from Laurus nobilis leaves

Identifiers

InChI

InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6-,17-7-/t20-,34+,35-,38+,39-/m0/s1

0 references

InChIKey

KMOHJUXDKSMQOG-CPUVFPGGSA-N

0 references

CAS Registry Number

205534-17-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KMOHJUXDKSMQOG-CPUVFPGGSA-N

1 reference

1 reference

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

retrieved

15 January 2022

InChIKey

KMOHJUXDKSMQOG-CPUVFPGGSA-N

(Q105143070)

(2S,3R,4R,5R,6S)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4-hydroxy-5-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate

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