NP-MRD: Browsing natural products

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0351079

N-acetyl-Z-L-fusarinine A Ga+3 complex

Not Available

C₂₄H₃₈GaN₄O₁₀

612.3080 Da
611.18382 Da

¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0351078

N-acetyl-Z-L-fusarinine A

Not Available

C₂₄H₄₀N₄O₁₀

544.6020 Da
544.27444 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0351077

N,N’-diacetyl-Z-L-fusarinine B Ga3+ complex

Not Available

C₃₇H₅₇GaN₆O₁₅

895.6130 Da
894.31376 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0351076

N,N’-diacetyl-Z-L-fusarinine A Ga+3 complex

Not Available

C₂₆H₄₀GaN₄O₁₁

654.3450 Da
653.19438 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0351075

N,N’,N’’-triacetyl-Z-L-fusarinine B Ga+3 complex

Not Available

C₃₉H₅₉GaN₆O₁₆

937.6500 Da
936.32433 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0351074

N,N’,N’’-triacetyl-Z-L-fusarinine B

Not Available

C₃₉H₆₀N₆O₁₅

852.9360 Da
852.41167 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0351073

4-methyl-5,6-dihydro-2H-pyran-2-one

Not Available

C₆H₈O₂

112.1280 Da
112.05243 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0351072

N-acetyl-Z-L-fusarinine-methylester

Not Available

C₁₄H₂₄N₂O₆

316.3540 Da
316.16344 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0351071

N-acetyl-Z-L-fusarinine

Not Available

C₁₃H₂₂N₂O₆

302.3270 Da
302.14779 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0351070

Z-L-fusarinine

Not Available

C₁₁H₂₀N₂O₅

260.2900 Da
260.13722 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0351059

dmTQB

Not Available

C₁₀H₇NO₃S

221.2300 Da
221.01466 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)

NP0351057

TQB

Not Available

C₁₁H₉NO₃S

235.2600 Da
235.03031 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)

NP0351056

brefeldindole H

Not Available

C₂₃H₂₇N₃O₅

425.4850 Da
425.19507 Da

¹H NMR Spectrum (1D, 700, CD₃OD, simulated)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0351055

brefeldindole G

Not Available

C₂₇H₃₁N₃O₈

525.5580 Da
525.21111 Da

¹H NMR Spectrum (1D, 700, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0351054

brefeldindole F

Not Available

C₃₂H₄₁NO₅

519.6820 Da
519.29847 Da

¹H NMR Spectrum (1D, 700, CD₃OD, simulated)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0351053

brefeldindole E

Not Available

C₃₂H₄₁NO₅

519.6820 Da
519.29847 Da

¹H NMR Spectrum (1D, 500, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0351052

brefeldindole D

Not Available

C₃₂H₄₃NO₇

553.6960 Da
553.30395 Da

¹H NMR Spectrum (1D, 500, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0351051

brefeldindole C

Not Available

C₃₂H₄₃NO₆

537.6970 Da
537.30904 Da

¹H NMR Spectrum (1D, 700, CD₃OD, simulated)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0351050

brefeldindole B

Not Available

C₃₃H₄₅NO₆

551.7240 Da
551.32469 Da

¹H NMR Spectrum (1D, 700, CD₃OD, simulated)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0351049

brefeldindole A

Not Available

C₃₂H₄₁NO₅

519.6820 Da
519.29847 Da

¹H NMR Spectrum (1D, 700, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)

NP0351048

sterigmatocystin Q

Not Available

C₁₉H₁₄O₈

370.3130 Da
370.06887 Da

¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0351047

asperaflatoxins D

Not Available

C₁₇H₁₄O₈

346.2910 Da
346.06887 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)

NP0351046

asperaflatoxins C

Not Available

C₁₈H₁₆O₈

360.3180 Da
360.08452 Da

¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0351045

Sptrimycin D

Not Available

C₂₁H₃₄O₅

366.4980 Da
366.24062 Da

¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)

NP0351044

Sptrimycin C

Not Available

C₂₀H₃₂O₅

352.4710 Da
352.22497 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

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