(Q105300640)

English

(1S,2'S,3'aS,12S,16R)-2'-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione

chemical compound

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instance of

type of chemical entity

0 references

1 reference

413.148789468 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₁₉N₅O₃

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canonical SMILES

CC1NC2N(C1=O)c1ccccc1C21CC2C(=O)NC1c1nc3ccccc3c(=O)n12

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isomeric SMILES

C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@H]2C(=O)N[C@@H]1c1nc3ccccc3c(=O)n12

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found in taxon

Penicillium lapatayae

1 reference

stated in

Discovery of new natural products by application of X-hitting, a novel algorithm for automated comparison of full UV spectra, combined with structural determination by NMR spectroscopy.

Identifiers

InChI

InChI=1S/C23H19N5O3/c1-11-20(30)28-15-9-5-3-7-13(15)23(22(28)24-11)10-16-19(29)26-17(23)18-25-14-8-4-2-6-12(14)21(31)27(16)18/h2-9,11,16-17,22,24H,10H2,1H3,(H,26,29)/t11-,16-,17+,22-,23+/m0/s1

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InChIKey

WBCINSMUFGLFNX-PBSSQXKISA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105300640)

(1S,2'S,3'aS,12S,16R)-2'-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione

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Identifiers

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