(Q105177000)

English

5-Hydroxy-7-[2-O-[2-O-[3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranuronosyloxy]-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

828.174908172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₃₆O₂₁

0 references

canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=C(OC)C(O)=C(OC)C4)C(OC5OC(C(=O)O)C(O)C(O)C5OC(=O)C=CC6=CC=C(O)C=C6)C(O)C1O

0 references

isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)cc4)cc3o2)cc(OC)c1O

0 references

Medicago sativa

1 reference

Alfalfa (Medicago sativa L.) flavonoids. 2. Tricin and chrysoeriol glycosides from aerial parts

Medicago truncatula

1 reference

Flavonoids from barrel medic (Medicago truncatula) aerial parts

Identifiers

InChI=1S/C38H36O21/c1-52-22-9-15(10-23(53-2)26(22)43)20-13-19(41)25-18(40)11-17(12-21(25)55-20)54-37-34(30(47)28(45)31(57-37)35(48)49)59-38-33(29(46)27(44)32(58-38)36(50)51)56-24(42)8-5-14-3-6-16(39)7-4-14/h3-13,27-34,37-40,43-47H,1-2H3,(H,48,49)(H,50,51)/b8-5+/t27-,28-,29-,30-,31-,32-,33+,34+,37+,38-/m0/s1

0 references

NBUOZEVVFWDVHF-CEDMXDAFSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

NBUOZEVVFWDVHF-CEDMXDAFSA-N

UniChem compound ID

1 reference

1 reference

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

15 January 2022

NBUOZEVVFWDVHF-CEDMXDAFSA-N

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