(Q105224587)

English

methyl (1R,4aR,5R,6S,7S,7aR)-4a,5,6,7-tetrahydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 4a,5,6,7-tetrahydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7aH-cyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

438.137340892 dalton

1 reference

1 reference

1 reference

C₁₇H₂₆O₁₃

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)C(O)C(O)C3(O)C

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isomeric SMILES

COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@](C)(O)[C@@H](O)[C@@H](O)[C@]12O

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found in taxon

Phlomoides rotata

1 reference

stated in

A new iridoid glucoside from Lamiophlomis rotata

Identifiers

InChI

InChI=1S/C17H26O13/c1-16(25)10-15(30-14-9(21)8(20)7(19)6(3-18)29-14)28-4-5(13(24)27-2)17(10,26)12(23)11(16)22/h4,6-12,14-15,18-23,25-26H,3H2,1-2H3/t6-,7-,8+,9-,10-,11+,12-,14+,15-,16+,17+/m1/s1

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InChIKey

QNOVPOGNFVHQOK-DBIJJNCUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QNOVPOGNFVHQOK-DBIJJNCUSA-N

(Q105224587)

methyl (1R,4aR,5R,6S,7S,7aR)-4a,5,6,7-tetrahydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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