(Q105341959)

English

(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-carboxyoxy-4,5-dihydroxy-2-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[6-Carboxyoxy-4,5-dihydroxy-2-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

668.122478676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₈O₁₉

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canonical SMILES

O=C(O)OC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(OC)=C(O)C4)C(OC5OC(C(=O)O)C(O)C(O)C5O)C(O)C1O

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isomeric SMILES

COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](OC(=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]4O)cc3o2)cc1O

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found in taxon

Meehania fargesii

1 reference

stated in

Cyclic spermidine alkaloids and flavone glycosides from Meehania fargesii

Identifiers

InChI

InChI=1S/C28H28O19/c1-41-13-3-2-8(4-10(13)29)14-7-12(31)16-11(30)5-9(6-15(16)43-14)42-27-23(19(34)21(36)26(46-27)47-28(39)40)45-25-20(35)17(32)18(33)22(44-25)24(37)38/h2-7,17-23,25-27,29-30,32-36H,1H3,(H,37,38)(H,39,40)/t17-,18-,19-,20+,21-,22-,23+,25-,26+,27+/m0/s1

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InChIKey

XTVJYGMJGXGPOQ-LGGLRFSESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XTVJYGMJGXGPOQ-LGGLRFSESA-N

(Q105341959)

(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-carboxyoxy-4,5-dihydroxy-2-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Statements

Identifiers

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