(Q105252947)

English

(1S,4aS,6S,7aS)-1-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

1-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

506.16355564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₁₄

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2OC3OCC(O)(CO)C3O)C4C(=C)C(O)CC14

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isomeric SMILES

C=C1[C@@H](O)C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]12

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found in taxon

Recordia reitzii

1 reference

stated in

2′-Apiosylgardoside, an iridoid glucoside from Verbenoxylum reitzii

Identifiers

InChI

InChI=1S/C21H30O14/c1-7-10(24)2-8-9(17(28)29)4-31-18(12(7)8)35-19-15(14(26)13(25)11(3-22)33-19)34-20-16(27)21(30,5-23)6-32-20/h4,8,10-16,18-20,22-27,30H,1-3,5-6H2,(H,28,29)/t8-,10+,11-,12-,13-,14+,15-,16+,18+,19+,20+,21-/m1/s1

0 references

InChIKey

SHFGOBSKKPEXJN-NSYPUUDYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SHFGOBSKKPEXJN-NSYPUUDYSA-N

(Q105252947)

(1S,4aS,6S,7aS)-1-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

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