(Q105165674)

English

(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7S,7aR)-4-(hydroxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

346.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₆O₈

0 references

canonical SMILES

OCC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CCC3C

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isomeric SMILES

C[C@H]1CC[C@@H]2C(CO)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

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found in taxon

Verbena officinalis

1 reference

stated in

Biosynthesis of the iridoid glucoside cornin in Verbena officinalis

Verbena officinalis var. officinalis

1 reference

stated in

Biosynthesis of the iridoid glucoside cornin in Verbena officinalis

Identifiers

InChI

InChI=1S/C16H26O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h6-7,9-21H,2-5H2,1H3/t7-,9+,10+,11+,12+,13-,14+,15-,16-/m0/s1

0 references

InChIKey

MJUSAYWWRYZTDN-MDHPXLNESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJUSAYWWRYZTDN-MDHPXLNESA-N

(Q105165674)

(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7S,7aR)-4-(hydroxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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