(Q105325538)

English

(1S,4aS,6S,7R,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

538.189770388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Loganic acid 6'-glucoside

1 reference

based on heuristic

inferred from InChI

(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₁₅

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C4C1CC(O)C4C

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isomeric SMILES

C[C@H]1[C@@H](O)C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21

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found in taxon

Alangium lamarckii

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Alangium salviifolium

1 reference

stated in

Tetrahydroisoquinoline-monoterpene and iridoid glycosides from Alangium lamarckii

Identifiers

InChI

InChI=1S/C22H34O15/c1-6-9(24)2-7-8(19(31)32)4-33-20(12(6)7)37-22-18(30)16(28)14(26)11(36-22)5-34-21-17(29)15(27)13(25)10(3-23)35-21/h4,6-7,9-18,20-30H,2-3,5H2,1H3,(H,31,32)/t6-,7+,9-,10+,11+,12-,13+,14+,15-,16-,17+,18+,20-,21+,22-/m0/s1

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InChIKey

XCXZPJYVZYGBQA-VVHHMBAXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XCXZPJYVZYGBQA-VVHHMBAXSA-N

(Q105325538)

(1S,4aS,6S,7R,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

Statements

Identifiers

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