(Q105146214)

English

[(9R,10S)-10-hydroxy-5-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

trans-Grandmarin isovalerate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C1OC2=C(C=C1)C(OC)=CC=3OC(C)(C)C(OC(=O)CC(C)C)C(O)C32

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isomeric SMILES

COc1cc2c(c3oc(=O)ccc13)[C@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2

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found in taxon

Citrus

1 reference

stated in

A new flavonoid and other new components from Citrus plants.

Identifiers

InChI

InChI=1S/C20H24O7/c1-10(2)8-15(22)26-19-17(23)16-13(27-20(19,3)4)9-12(24-5)11-6-7-14(21)25-18(11)16/h6-7,9-10,17,19,23H,8H2,1-5H3/t17-,19+/m0/s1

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InChIKey

KULKFALUVSLOHX-PKOBYXMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KULKFALUVSLOHX-PKOBYXMFSA-N

(Q105146214)

[(9R,10S)-10-hydroxy-5-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate

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Identifiers

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