(Q104967567)

English

methyl (1S,4aR,7R,7aS)-1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-7-(hydroxymethyl)-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

iridoid

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mass

566.184685008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₁₆

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C4C1C=CC4(O)CO

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C=C[C@]2(O)CO

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found in taxon

Genipa americana

1 reference

stated in

Iridoid glucosides from the fruit of Genipa americana

Identifiers

InChI

InChI=1S/C23H34O16/c1-34-19(32)9-6-35-20(12-8(9)2-3-23(12,33)7-26)39-22-17(31)15(29)18(11(5-25)37-22)38-21-16(30)14(28)13(27)10(4-24)36-21/h2-3,6,8,10-18,20-22,24-31,33H,4-5,7H2,1H3/t8-,10+,11+,12+,13+,14-,15+,16+,17+,18+,20-,21-,22-,23-/m0/s1

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InChIKey

CPILLEDKLYPDNE-MAPOTENRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPILLEDKLYPDNE-MAPOTENRSA-N

(Q104967567)

methyl (1S,4aR,7R,7aS)-1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-7-(hydroxymethyl)-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate

Statements

Identifiers

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