(Q115971422)

English

(1S,2S,3S,5S,9S)-2-hydroxy-4,15-dioxa-8-azapentacyclo[7.6.1.01,12.02,8.03,5]hexadeca-10,12-dien-14-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

247.084457896 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₃NO₄

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canonical SMILES

O=C1OC23C(C=CC(N4CCC5OC5C42O)C3)=C1

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isomeric SMILES

O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@@]1(O)[C@H]2O[C@H]2CCN31

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found in taxon

Flueggea suffruticosa

1 reference

stated in

Securinega Alkaloids from the Twigs of Securinega suffruticosa and Their Biological Activities

Identifiers

InChI

InChI=1S/C13H13NO4/c15-10-5-7-1-2-8-6-12(7,18-10)13(16)11-9(17-11)3-4-14(8)13/h1-2,5,8-9,11,16H,3-4,6H2/t8-,9+,11+,12+,13+/m1/s1

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InChIKey

PTNZXCYCWIOQBJ-RDIPFHLNSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PTNZXCYCWIOQBJ-RDIPFHLNSA-N

1 reference

(Q115971422)

(1S,2S,3S,5S,9S)-2-hydroxy-4,15-dioxa-8-azapentacyclo[7.6.1.01,12.02,8.03,5]hexadeca-10,12-dien-14-one

Statements

Identifiers

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