(Q105214446)

English

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

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(OC5OC(C(=O)O)C(O)C(O)C5O)=C(O)C4)C(O)C(O)C1O

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isomeric SMILES

O=C(O)[C@H]1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4o3)cc2O)[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/c28-9-3-7(1-2-12(9)43-27-21(36)17(32)19(34)23(45-27)25(39)40)13-6-11(30)15-10(29)4-8(5-14(15)42-13)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

PSWKIAQYCLNJDW-NGQXCTPCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PSWKIAQYCLNJDW-NGQXCTPCSA-N

(Q105214446)

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

Statements

Identifiers

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