(Q115950776)

English

[(1S,4aS,5S,6R,7S,7aS)-5,6,7-trihydroxy-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

510.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aR,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,4aS,5S,6S,7R,7aS)-5,6,7-trihydroxy-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate

1 reference

1 reference

C₂₄H₃₀O₁₂

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canonical SMILES

O=C(OCC1(O)C(O)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)C=CC=4C=CC=CC4

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isomeric SMILES

O=C(/C=C/c1ccccc1)OC[C@@]1(O)[C@H]2[C@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C[C@@H]2[C@H](O)[C@H]1O

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found in taxon

Globularia alypum

1 reference

stated in

New Iridoid Glucosides and a Lignan Diglucoside fromGlobularia alypumL

Identifiers

InChI

InChI=1S/C24H30O12/c25-10-14-18(28)19(29)20(30)23(35-14)36-22-16-13(8-9-33-22)17(27)21(31)24(16,32)11-34-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-32H,10-11H2/b7-6+/t13-,14-,16+,17-,18-,19+,20-,21+,22-,23-,24+/m0/s1

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InChIKey

NRCZKVGMFVNDIY-MMUOADFCSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

NRCZKVGMFVNDIY-MMUOADFCSA-N

(Q115950776)

[(1S,4aS,5S,6R,7S,7aS)-5,6,7-trihydroxy-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate

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Identifiers

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