(Q105025412)

English

Aristelegin-A

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,4-Bis(1,3-benzodioxol-5-ylmethyl)-5-methoxyoxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

384.12090298 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₇

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canonical SMILES

O=C1OC(OC)C(CC2=CC=C3OCOC3=C2)C1CC4=CC=C5OCOC5=C4

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isomeric SMILES

CO[C@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2

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found in taxon

Aristolochia elegans

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stated in

Constituents from the root and stem of Aristolochia elegans

Aristolochia littoralis

1 reference

stated in

Constituents from the root and stem of Aristolochia elegans

Identifiers

InChI

InChI=1S/C21H20O7/c1-23-21-15(7-13-3-5-17-19(9-13)27-11-25-17)14(20(22)28-21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9,14-15,21H,6-7,10-11H2,1H3/t14-,15-,21+/m1/s1

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InChIKey

HBOUIMWCFJKPNL-PZPWOCDFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HBOUIMWCFJKPNL-PZPWOCDFSA-N

1 reference

NMRShiftDB structure ID

7187

1 reference

matched by identifier from

InChIKey

HBOUIMWCFJKPNL-PZPWOCDFSA-N

(Q105025412)

Aristelegin-A

Statements

Identifiers

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