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

NP0332178

2-Acetylpyrazine

Not Available

C₆H₆N₂O

122.1246 Da
122.04801 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332179

4-Hydroxyphenyl-2-propionic acid

Not Available

C₉H₁₀O₃

166.1760 Da
166.06299 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332180

Neopetrotaurine A

Not Available

C₂₆H₂₈N₃O₉S

558.5800 Da
558.15408 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332181

Neopetrotaurine C

Not Available

C₂₈H₃₀N₃O₁₁S

616.6200 Da
616.15956 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332182

Neopetrotaurine B

Not Available

C₂₇H₂₈N₃O₁₁S

602.5900 Da
602.14391 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332183

Caulamidine C

Not Available

C₂₃H₂₁BrCl₂N₄

504.2500 Da
502.03266 Da

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

NP0332184

Isocaulamidine C

Not Available

C₂₃H₂₁BrCl₂N₄

504.2500 Da
502.03266 Da

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

NP0332185

Caulamidine B

Not Available

C₂₃H₂₁Br₂ClN₄

548.7100 Da
545.98215 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹⁵N] 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)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0332186

Caulamidine A

Not Available

C₂₃H₂₁Cl₃N₄

459.8000 Da
458.08318 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)

NP0332187

Isocaulamidine B

Not Available

C₂₃H₂₁Br₂ClN₄

548.7100 Da
545.98215 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] 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)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0332188

Caulamidine D

Not Available

C₂₃H₂₂BrClN₄

469.8100 Da
468.07164 Da

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

NP0332189

Isocaulamidine D

Not Available

C₂₃H₂₂BrClN₄

469.8100 Da
468.07164 Da

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

NP0332190

Sarasinoside C5

Not Available

C₅₆H₉₀N₂O₂₂

1143.3280 Da
1142.59852 Da

NP0332191

Sarasinoside C8

Not Available

C₅₅H₈₈N₂O₂₂

1129.3010 Da
1128.58287 Da

NP0332192

Sarasinoside C9

Not Available

C₅₅H₈₈N₂O₂₂

1129.3010 Da
1128.58287 Da

NP0332193

Sarasinoside C4

Not Available

C₅₅H₈₆N₂O₂₁

1111.2860 Da
1110.57231 Da

NP0332194

Sarasinoside C7

Not Available

C₅₅H₈₈N₂O₂₁

1113.3020 Da
1112.58796 Da

NP0332195

Sarasinoside C6

Not Available

C₅₆H₉₀N₂O₂₂

1143.3280 Da
1142.59852 Da

NP0332196

2',4'-Dihydroxyacetophenone

Not Available

C₈H₈O₃

152.1473 Da
152.04734 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332197

1-O-methoxy-1-oxotetradecan-3-yl 3-[α-l-rhamnopyranosyl-1→2-α-l-rhamnopyranosyl]oxytetradecanoate

Not Available

C₄₁H₇₆O₁₃

777.0460 Da
776.52859 Da

¹H NMR Spectrum (1D, 500.303089352, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)

NP0332198

Bostrychine H

Not Available

C₁₆H₂₇N₃O₇

373.4060 Da
373.18490 Da

¹H NMR Spectrum (1D, 400 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)

NP0332199

Catenelline C

Not Available

C₁₃H₂₄N₂O₆S

336.4000 Da
336.13551 Da

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

NP0332200

Catenelline B

Not Available

C₁₀H₁₈N₂O₆S

294.3200 Da
294.08856 Da

¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)

NP0332201

Bostrychine G

Not Available

C₁₆H₂₇N₃O₇

373.4060 Da
373.18490 Da

¹H NMR Spectrum (1D, 400 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, D2O, experimental)

NP0332202

Harzianin NPDG O

Not Available

C₆₇H₁₁₄N₁₄O₁₇

1387.7300 Da
1386.84864 Da

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

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