(Q104972983)

English

petasitenine

group of stereoisomers with the chemical formula C₁₉H₂₇NO₇

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Statements

group of stereoisomers

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1 reference

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381.178752204 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₇NO₇

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canonical SMILES

O=C1OCC2=CCN(C)CCC(OC(=O)C3(OC3C)CC(C)C1(O)C)C2=O

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isomeric SMILES

CC1CC2(OC2C)C(=O)OC2CCN(C)C/C=C(/COC(=O)C1(C)O)C2=O

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based on heuristic

inferred from InChI

Homogyne alpina

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Pyrrolizidine alkaloids of the genus homogyne

Identifiers

InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-

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CZQLULNMKQAIQL-ACAGNQJTSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

UniChem compound ID

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