(Q105145565)

English

(3S)-5-[[(2R,3S,4S,5R,6R)-6-[[(2R)-6-acetyl-2-methylchromen-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-({6-[(6-acetyl-2-methylchromen-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

524.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₁₂

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canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OCC2(OC=3C=CC(=CC3C=C2)C(=O)C)C)C(O)C(O)C1O

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isomeric SMILES

CC(=O)c1ccc2c(c1)C=C[C@](C)(CO[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O2

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found in taxon

Ageratina altissima

1 reference

stated in

Chromene glycosides from Ageratina altissima

Identifiers

InChI

InChI=1S/C25H32O12/c1-13(26)14-4-5-16-15(8-14)6-7-25(3,37-16)12-35-23-22(32)21(31)20(30)17(36-23)11-34-19(29)10-24(2,33)9-18(27)28/h4-8,17,20-23,30-33H,9-12H2,1-3H3,(H,27,28)/t17-,20-,21+,22-,23-,24+,25-/m1/s1

0 references

InChIKey

KSRUZCVAFJSUFJ-RPIXIFGUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KSRUZCVAFJSUFJ-RPIXIFGUSA-N

(Q105145565)

(3S)-5-[[(2R,3S,4S,5R,6R)-6-[[(2R)-6-acetyl-2-methylchromen-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

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Identifiers

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