(Q105221417)

English

7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

flavone

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mass

610.15338488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₆

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canonical SMILES

O=C1C(O)=C(OC2=CC(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)=CC(O)=C12)C=5C=CC(O)=CC5

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isomeric SMILES

O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)c12

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found in taxon

Crocus sativus

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stated in

Two Kaempferol Sophorosides fromCrocus Sativus

Identifiers

InChI

InChI=1S/C27H30O16/c28-7-14-17(32)20(35)23(38)26(41-14)43-25-21(36)18(33)15(8-29)42-27(25)39-11-5-12(31)16-13(6-11)40-24(22(37)19(16)34)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-21,23,25-33,35-38H,7-8H2/t14-,15+,17-,18-,20+,21+,23+,25-,26+,27-/m1/s1

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InChIKey

QIIWNLYXERJKDH-BYXBZGOXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QIIWNLYXERJKDH-BYXBZGOXSA-N

(Q105221417)

7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Statements

Identifiers

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