(Q72493976)

English

Neoisoastilbin

chemical compound

NSC 245342
(2S,3R)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

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Statements

instance of

type of chemical entity

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subclass of

flavanone

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mass

450.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₁₁

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(O)=C3)C1OC4OC(C)C(O)C(O)C4O

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found in taxon

Smilax china

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stated in

Maltol glucosides from the tuber of Smilax bockii

Smilax glabra

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stated in

Maltol glucosides from the tuber of Smilax bockii

Eucalyptus maidenii

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stated in

Phenolic compounds from the branches of Eucalyptus maideni

Identifiers

InChI

InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3

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InChIKey

ZROGCCBNZBKLEL-UHFFFAOYSA-N

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26 December 2021

matched by identifier from

InChIKey

ZROGCCBNZBKLEL-UHFFFAOYSA-N

1 reference

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DSSTOX compound identifier

DTXCID70262916

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NSC number

245342

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Human Metabolome Database ID

HMDB0242667

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZROGCCBNZBKLEL-UHFFFAOYSA-N

Probes And Drugs ID

PD117863

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(Q72493976)

Neoisoastilbin

Statements

Identifiers

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