(Q104250419)

English

(1S,4Z,7S,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

group of stereoisomers with the chemical formula C₁₈H₂₅NO₅

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Statements

group of stereoisomers

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pyrrolizidine alkaloid

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pyrrolizidine alkaloid

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335.1732729 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₂₅NO₅

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canonical SMILES

O=C1OC2CCN3CC=C(COC(=O)C(O)(C)C(C)CC1=CC)C32

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isomeric SMILES

C/C=C1/CC(C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23

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Cacalia hastata L. (1753)

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Integerrimine from Cacalia hastata L. subsp. Orientalis KITAMURA

Parasenecio hastata

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Integerrimine from Cacalia hastata L. subsp. Orientalis KITAMURA

Identifiers

InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14-,15-,18-/m0/s1

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HKODIGSRFALUTA-LOBRPSOCSA-N

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26 December 2021

UniChem compound ID

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