(Q105030372)

English

7-[(E,4R,6R)-4,7-dihydroxy-3,7-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoxy]chromen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-{[(2E)-4,7-dihydroxy-3,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-en-1-yl]oxy}chromen-2-one

1 reference

based on heuristic

inferred from SMILES

7-[[(2E,4R,6R)-6-(beta-D-Glucopyranosyloxy)-4,7-dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]-2H-1-benzopyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

510.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₁₁

0 references

canonical SMILES

O=C1OC=2C=C(OCC=C(C)C(O)CC(OC3OC(CO)C(O)C(O)C3O)C(O)(C)C)C=CC2C=C1

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isomeric SMILES

C/C(=C\COc1ccc2ccc(=O)oc2c1)[C@H](O)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O

0 references

found in taxon

Aegle marmelos

1 reference

stated in

Two New 7-Geranyloxycoumarins from the Bark of Aegle Marmelos, an Indonesian Medicinal Plant

Identifiers

InChI

InChI=1S/C25H34O11/c1-13(8-9-33-15-6-4-14-5-7-20(28)34-17(14)10-15)16(27)11-19(25(2,3)32)36-24-23(31)22(30)21(29)18(12-26)35-24/h4-8,10,16,18-19,21-24,26-27,29-32H,9,11-12H2,1-3H3/b13-8+/t16-,18-,19-,21-,22+,23-,24+/m1/s1

0 references

InChIKey

HLXHWKRKFDBAEQ-XWTUZYLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HLXHWKRKFDBAEQ-XWTUZYLUSA-N

1 reference

(Q105030372)

7-[(E,4R,6R)-4,7-dihydroxy-3,7-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoxy]chromen-2-one

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