(Q104977016)

English

5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

tectorigenin 7-O-gentiobioside

1 reference

based on heuristic

inferred from SMILES

mass

624.169034944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂O₁₆

0 references

canonical SMILES

O=C1C(=COC2=CC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC)C(O)=C12)C=5C=CC(O)=CC5

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isomeric SMILES

COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O

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found in taxon

Iris spuria

1 reference

stated in

Flavonoids from Iris spuria (Zeal) cultivated in Egypt

Identifiers

InChI

InChI=1S/C28H32O16/c1-39-26-14(6-13-17(21(26)34)18(31)12(8-40-13)10-2-4-11(30)5-3-10)42-28-25(38)23(36)20(33)16(44-28)9-41-27-24(37)22(35)19(32)15(7-29)43-27/h2-6,8,15-16,19-20,22-25,27-30,32-38H,7,9H2,1H3/t15-,16-,19-,20-,22+,23+,24+,25-,27-,28-/m1/s1

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InChIKey

DEAGIDFEDRILTP-CVGGESKWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DEAGIDFEDRILTP-CVGGESKWSA-N

(Q104977016)

5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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Identifiers

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