(Q105218814)

English

[4-[8-[(2R,3S,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-4-oxochromen-2-yl]-2-methoxyphenyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8C-substituted flavone

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mass

636.169034944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₂O₁₆

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canonical SMILES

O=C1C=C(OC=2C1=C(O)C=C(O)C2C3OCC(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C=5C=CC(OC(=O)C)=C(OC)C5

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isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O)c([C@H]4OC[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3o2)ccc1OC(C)=O

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found in taxon

Scleranthus uncinatus

1 reference

stated in

Flavone C-glycosides from Scleranthus uncinatus

Identifiers

InChI

InChI=1S/C29H32O16/c1-10(31)42-16-4-3-11(5-18(16)40-2)17-7-14(34)20-12(32)6-13(33)21(26(20)43-17)27-28(22(36)15(35)9-41-27)45-29-25(39)24(38)23(37)19(8-30)44-29/h3-7,15,19,22-25,27-30,32-33,35-39H,8-9H2,1-2H3/t15-,19-,22+,23-,24+,25-,27-,28+,29+/m1/s1

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InChIKey

QDFWFXXLFSJUMJ-AVMAKHQLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QDFWFXXLFSJUMJ-AVMAKHQLSA-N

(Q105218814)

[4-[8-[(2R,3S,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-4-oxochromen-2-yl]-2-methoxyphenyl] acetate

Statements

Identifiers

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