(Q105195926)

English

(2S,3S,4S,5S,6S)-6-[2-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavone

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mass

638.111913992 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Luteolin 7,3'-digalacturonide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,4S,5R,6S)-6-[2-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

Luteolin 7,3'-di-O-glucuronide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₆O₁₈

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canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=C(OC5OC(C(=O)O)C(O)C(O)C5O)C4)C(O)C(O)C1O

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isomeric SMILES

O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Marchantia polymorpha

1 reference

stated in

Flavonoids of the liverwort Marchantia polymorpha

Identifiers

InChI

InChI=1S/C27H26O18/c28-9-2-1-7(3-13(9)43-27-21(36)17(32)19(34)23(45-27)25(39)40)12-6-11(30)15-10(29)4-8(5-14(15)42-12)41-26-20(35)16(31)18(33)22(44-26)24(37)38/h1-6,16-23,26-29,31-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20-,21+,22-,23-,26+,27+/m0/s1

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InChIKey

OPANBGHBBMSMQC-LSWYOQHYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105195926)

(2S,3S,4S,5S,6S)-6-[2-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Statements

Identifiers

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