(Q105213275)

English

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

520.121690828 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₄O₁₃

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canonical SMILES

O=C(O)C1OC(OC=2C=CC=C(OC)C2C=3OC4=C(OC)C(OC)=CC(O)=C4C(=O)C3)C(O)C(O)C1O

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isomeric SMILES

COc1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1-c1cc(=O)c2c(O)cc(OC)c(OC)c2o1

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found in taxon

Scutellaria baicalensis

1 reference

stated in

Flavonoids and phenylethanoids from hairy root cultures of Scutellaria baicalensis

Scutellaria rivularis

1 reference

stated in

Studies on the constituents of Scutellaria species. XIII. On the flavonoid constituents of the root of Scutellaria rivularis Wall.

Scutellaria barbata

1 reference

stated in

Studies on the constituents of Scutellaria species. XIII. On the flavonoid constituents of the root of Scutellaria rivularis Wall.

Identifiers

InChI

InChI=1S/C24H24O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-8,17-19,22,24,26-29H,1-3H3,(H,30,31)/t17-,18-,19+,22-,24+/m0/s1

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InChIKey

PQLPFYVPSLASRG-YPQORGHUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

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

retrieved

15 January 2022

InChIKey

PQLPFYVPSLASRG-YPQORGHUSA-N

(Q105213275)

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid

Statements

Identifiers

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