(Q105136403)

English

(3R,4aS,5S,6S)-3-(5,7-dihydroxy-2-methyl-4-oxochromen-3-yl)-5-ethenyl-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-(5,7-dihydroxy-2-methyl-4-oxochromen-3-yl)-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

1 reference

based on heuristic

inferred from SMILES

mass

548.152990956 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈O₁₃

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canonical SMILES

O=C1OC(C=2C(=O)C=3C(O)=CC(O)=CC3OC2C)CC4C1=COC(OC5OC(CO)C(O)C(O)C5O)C4C=C

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isomeric SMILES

C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H](c3c(C)oc4cc(O)cc(O)c4c3=O)C[C@H]21

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found in taxon

Neonauclea sessilifolia

1 reference

stated in

Two chromone-secoiridoid glycosides and three indole alkaloid glycosides from Neonauclea sessilifolia

Identifiers

InChI

InChI=1S/C26H28O13/c1-3-11-12-6-16(18-9(2)36-15-5-10(28)4-14(29)19(15)21(18)31)37-24(34)13(12)8-35-25(11)39-26-23(33)22(32)20(30)17(7-27)38-26/h3-5,8,11-12,16-17,20,22-23,25-30,32-33H,1,6-7H2,2H3/t11-,12-,16+,17+,20-,22-,23+,25-,26-/m0/s1

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InChIKey

JWVRLUKQBCGKPV-QLDXTTNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JWVRLUKQBCGKPV-QLDXTTNCSA-N

(Q105136403)

(3R,4aS,5S,6S)-3-(5,7-dihydroxy-2-methyl-4-oxochromen-3-yl)-5-ethenyl-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

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