(Q105206759)

English

(1R,2S,10R,12R,13R,16S,19S)-16,19-dihydroxy-10-(hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraene-12-carbonitrile

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkaloid

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mass

511.195464888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₉N₃O₈

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canonical SMILES

N#CC1N2C(C=3C(=O)C(OC)=C(C(=O)C3CC2C4C5=C(C(=O)C1N4C)C(O)C(=C(OC)C5O)C)C)CO

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isomeric SMILES

COC1=C(C)C(=O)C2=C(C1=O)[C@H](CO)N1[C@@H](C2)[C@H]2C3=C(C(=O)[C@@H]([C@@H]1C#N)N2C)[C@@H](O)C(C)=C(OC)[C@H]3O

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found in taxon

Jorunna funebris

1 reference

stated in

Jorunnamycins A-C, new stabilized renieramycin-type bistetrahydroisoquinolines isolated from the Thai nudibranch Jorunna funebris

Identifiers

InChI

InChI=1S/C26H29N3O8/c1-9-20(31)11-6-12-18-16-17(21(32)10(2)26(37-5)24(16)35)22(33)19(28(18)3)13(7-27)29(12)14(8-30)15(11)23(34)25(9)36-4/h12-14,18-19,21,24,30,32,35H,6,8H2,1-5H3/t12-,13-,14-,18-,19+,21-,24-/m0/s1

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InChIKey

PDTGXNNCWQXMJK-DAKVRNSVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PDTGXNNCWQXMJK-DAKVRNSVSA-N

(Q105206759)

(1R,2S,10R,12R,13R,16S,19S)-16,19-dihydroxy-10-(hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraene-12-carbonitrile

Statements

Identifiers

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