(Q105338820)

English

methyl (1R,4S,12R,13S,16R)-7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9,19-tetraene-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9,19-tetraene-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

380.173607248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₄N₂O₄

0 references

canonical SMILES

O=C(OC)C12NC=3C(OC)=CC=CC3C42C5C(=O)CC6(C=CCN(C5)C64)CC1

0 references

isomeric SMILES

COC(=O)[C@]12CC[C@]34C=CCN5C[C@H](C(=O)C3)[C@@]1(c1cccc(OC)c1N2)[C@@H]54

0 references

found in taxon

Arabidopsis thaliana

1 reference

stated in

The lipid polyester composition of Arabidopsis thaliana and Brassica napus seeds

Kopsia arborea

1 reference

stated in

Methyl chanofruticosinate alkaloids from Kopsia arborea

Identifiers

InChI

InChI=1S/C22H24N2O4/c1-27-16-6-3-5-13-17(16)23-21(19(26)28-2)9-8-20-7-4-10-24-12-14(15(25)11-20)22(13,21)18(20)24/h3-7,14,18,23H,8-12H2,1-2H3/t14-,18+,20-,21-,22+/m1/s1

0 references

InChIKey

XPLYAIRFUUIGPK-TVTJTFRUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XPLYAIRFUUIGPK-TVTJTFRUSA-N

(Q105338820)

methyl (1R,4S,12R,13S,16R)-7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9,19-tetraene-4-carboxylate

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