(Q105159773)

English

[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavone

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mass

592.142820196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₈O₁₅

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canonical SMILES

O=C(OC1OC(C)C(O)C(O)C1O)C2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C=5C=CC(O)=CC5)C(O)C(O)C2O

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isomeric SMILES

C[C@H]1O[C@H](OC(=O)[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Silybum marianum

1 reference

stated in

Flavonoids of the flowers of Silybum marianum

Identifiers

InChI

InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-25(37)24-21(34)20(33)23(36)27(41-24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-36H,1H3/t9-,18-,19+,20+,21-,22+,23-,24+,26-,27-/m1/s1

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InChIKey

LZCVCOOLTLOLNZ-ADCZOAPFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LZCVCOOLTLOLNZ-ADCZOAPFSA-N

(Q105159773)

[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

Statements

Identifiers

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