(Q115950613)

English

2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

1 reference

based on heuristic

inferred from SMILES

2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

388.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Tuberonic acid glucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2-[(1R,2S)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₈O₉

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canonical SMILES

O=C(O)CC1CCC(=O)C1CC=CCCOC2OC(CO)C(O)C(O)C2O

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isomeric SMILES

O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Phyllanthus emblica

1 reference

stated in

Two new acylated flavanone glycosides from the leaves and branches of Phyllanthus emblica

Identifiers

InChI

InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13+,15-,16+,17-,18-/m1/s1

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InChIKey

JFDNMLUPLXZXGV-MROOQMINSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

JFDNMLUPLXZXGV-MROOQMINSA-N

(Q115950613)

2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

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Identifiers

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