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

NP0332609

Noducyclamide A2

Not Available

C₅₈H₉₃N₁₁O₁₄

1168.4450 Da
1167.69035 Da

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

NP0146284

2-{[3-ethyl-5,10,12-trihydroxy-4-(methoxycarbonyl)-6,11-dioxotetracen-1-yl]amino}ethoxy(2-[(2-hydroxyoctadecanoyl)oxy]-3-(nonadecanoyloxy)propoxy)phosphinic acid

Not Available

C₆₄H₉₈NO₁₆P

1168.4530 Da
1167.66232 Da

Not Available

NP0004046

Tripropeptin D

Lysobacter sp.

C₅₂H₈₅N₁₁O₁₉

1168.3100 Da
1167.60232 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0060944

Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside)

Clitoria ternatea

C₅₄H₅₅O₂₉

1168.0040 Da
1167.28235 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0057916

Pelargonidin 3-O-(6-O-malonyl-beta-D-glucopyranoside)-7-O-(6-O-(4-O-(trans-caffeyl)-beta-D-glucopyranosyl)-trans-caffeyl)-beta-D-glucopyranoside)

Pericallis hybrida
Senecio cruentus

C₅₄H₅₅O₂₉

1168.0040 Da
1167.28235 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0054613

Delphinidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside)

Ajuga reptans

C₅₄H₅₅O₂₉

1168.0040 Da
1167.28235 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0039972

3-O-[6-O-(E)-caffeoyl-2-O-{6-O-(E)-caffeoyl-beta-D-glucopyranosyl}-beta-D+

Raphanus sativus

C₅₄H₅₅O₂₉

1168.0040 Da
1167.28235 Da

¹³C NMR Spectrum (1D, 600 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 100 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 100 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 200 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 200 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 300 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 300 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 400 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 400 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 500 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 500 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 700 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 700 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 800 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 800 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 900 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 900 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹³C NMR Spectrum (1D, 1000 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)
¹H NMR Spectrum (1D, 1000 MHz, DMSO-d6 : CF₃COOD( 9 : 1), simulated)

NP0279277

5,11,17,23,29,35-hexahydroxy-3,6,15,18,27-pentaisopropyl-9,21,33-trimethyl-12,24,36-tris(2-methylpropyl)-30-(sec-butyl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriaconta-4,10,16,22,28,34-hexaene-2,8,14,20,26,32-hexone

Not Available

C₅₈H₉₈N₆O₁₈

1167.4460 Da
1166.69376 Da

Not Available

NP0148576

6-[(2s)-butan-2-yl]-5,11,17,23,29,35-hexahydroxy-3,15,18,27,30-pentaisopropyl-9,21,33-trimethyl-12,24,36-tris(2-methylpropyl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriaconta-4,10,16,22,28,34-hexaene-2,8,14,20,26,32-hexone

Not Available

C₅₈H₉₈N₆O₁₈

1167.4460 Da
1166.69376 Da

Not Available

NP0286496

6-methyl-2-({4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl}oxy)-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl dodecanoate

Ipomoea pes-caprae

C₅₈H₁₀₂O₂₃

1167.4310 Da
1166.68119 Da

Not Available

NP0076951

(-)-Pescaprein I

Ipomoae batatas
Ipomoea murucoides
Ipomoea pes-caprae

C₅₈H₁₀₂O₂₃

1167.4310 Da
1166.68119 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0079328

Symplocososide F

Symplocos chinensis

C₆₁H₉₈O₂₁

1167.4340 Da
1166.66006 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0327339

3-{[14-(3,5-dihydroxy-7-{[5-hydroxy-6-methyl-4-(pentanoyloxy)oxan-2-yl]oxy}-4,6-dimethyloctan-2-yl)-3,5,20,22,24,28,30,31,32-nonahydroxy-13,27-dimethyl-16-oxo-11,15,34-trioxatricyclo[28.3.1.0¹⁰,¹²]tetratriacont-17-en-9-yl]oxy}-3-oxopropanoic acid

Not Available

C₅₇H₉₈O₂₄

1167.3870 Da
1166.64480 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0167465

3-{[14-(3,5-dihydroxy-7-{[5-hydroxy-6-methyl-4-(pentanoyloxy)oxan-2-yl]oxy}-4,6-dimethyloctan-2-yl)-3,9,20,22,24,28,30,31,32-nonahydroxy-13,27-dimethyl-16-oxo-11,15,34-trioxatricyclo[28.3.1.0¹⁰,¹²]tetratriacont-17-en-5-yl]oxy}-3-oxopropanoic acid

Not Available

C₅₇H₉₈O₂₄

1167.3870 Da
1166.64480 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0023625

Brasilinolide A

Nocardia brasiliensis

C₅₇H₉₈O₂₄

1167.3870 Da
1166.64480 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0079635

Succulentoside C

Polycarpon succulentum

C₅₆H₉₄O₂₅

1167.3430 Da
1166.60842 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0059566

Cathedulin K 20

Catha edulis

C₅₉H₆₂N₂O₂₃

1167.1360 Da
1166.37434 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0049571

168010-13-7

Foeniculoside IV

Foeniculum vulgare

C₆₀H₆₂O₂₄

1167.1199 Da
1166.36310 Da

Not Available

NP0030658

Gnemonoside K

Gnetum gnemon

C₆₀H₆₂O₂₄

1167.1320 Da
1166.36310 Da

¹³C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)
¹³C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)
¹H NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)

NP0247829

(2e,4e,6e,8e,10e,14e,20e,22e,24e,26e,28e,40e,50e,54e)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid

Not Available

C₆₆H₁₀₃NO₁₆

1166.5410 Da
1165.72769 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0054543

Pelargonidin 3-(6'',2'''-diferulylsambubioside)-5-(6-malonylglucoside)

Matthiola incana

C₅₅H₅₇O₂₈

1166.0320 Da
1165.30309 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0054542

Pelargonidin 3-(6''-p-coumaryl-2'''-sinapyl-sambubioside)-5-(6-malonylglucoside)

Matthiola incana

C₅₅H₅₇O₂₈

1166.0320 Da
1165.30309 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0337376

Tolualdehyde glyceryl acetal

Not Available

C₆₆H₈₄O₁₈

1165.3800 Da
1164.56577 Da

Not Available

NP0021909

Ditrisarubicin C

Streptomyces
Streptomyces cyaneus

C₆₀H₈₀N₂O₂₁

1165.2930 Da
1164.52536 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0021297

Serirubicin

Streptomyces
Streptomyces cyaneus

C₆₀H₈₀N₂O₂₁

1165.2930 Da
1164.52536 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

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