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

NP0351238

Cinnaflavonoid A

Not Available

C₁₇H₁₈O₈

350.3230 Da
350.10017 Da

¹H NMR Spectrum (1D, 400 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)

NP0351232

Tenuistones B

Not Available

C₃₇H₃₈O₁₂

674.6990 Da
674.23633 Da

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

NP0351231

Tenuistones F

Not Available

C₃₃H₄₀O₉

580.6740 Da
580.26723 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0351230

Tenuistones G

Not Available

C₃₃H₃₈O₈

562.6590 Da
562.25667 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0351229

Tenuistones H

Not Available

C₃₃H₃₈O₈

562.6590 Da
562.25667 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0351228

Tenuistones E

Not Available

C₃₃H₄₀O₉

580.6740 Da
580.26723 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0351227

Tenuistones A

Not Available

C₃₇H₃₆O₁₂

672.6830 Da
672.22068 Da

[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0351226

(3R,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-4-((4-(4-(bis(2-chloroethyl)amino)phenyl)butanoyl)oxy)-5-hydroxy-3,5,8a-trimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₃₃H₄₅Cl₂NO₉

670.6200 Da
669.24714 Da

[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0351225

(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxo-3-((phenylamino)methyl)dodecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₂₉H₃₉NO₉

545.6290 Da
545.26248 Da

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

NP0351224

(3aS,4S,4aR,5S,8S,8aS,9R,9aS)-9-acetoxy-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-3-methylene-2-oxododecahydronaphtho[2,3-b]furan-8-yl 4-(4-(bis(2-chloroethyl)amino)phenyl)butanoate

Not Available

C₃₅H₄₇Cl₂NO₉

696.6600 Da
695.26279 Da

[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351223

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₂₅H₃₉NO₉

497.5850 Da
497.26248 Da

[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351222

(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-5,8-dihydroxy-4-(isobutyryloxy)-3-(methoxymethyl)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-9-yl 4-(4-(bis(2-chloroethyl)amino)phenyl)butanoate

Not Available

C₃₄H₄₉Cl₂NO₉

686.6600 Da
685.27844 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351221

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-9-acetoxy-3-((dimethylamino)methyl)-5,8-dihydroxy-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-4-yl isobutyrate

Not Available

C₂₃H₃₇NO₈

455.5480 Da
455.25192 Da

[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0351220

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxo-3-(pyrrolidin-1-ylmethyl)dodecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₂₇H₄₁NO₉

523.6230 Da
523.27813 Da

[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351219

(3R,3aS,4S,4aR,5S,8S,8aR,9R,9aS)-5,9-dihydroxy-4-(isobutyryloxy)-3,5,8a-trimethyl-2-oxododecahydronaphtho[2,3-b]furan-8-yl 4-(4-(bis(2-chloroethyl)amino)phenyl)butanoate

Not Available

C₃₃H₄₇Cl₂NO₈

656.6400 Da
655.26787 Da

[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351218

semiantarmycin C

Not Available

C₂₇H₄₅NO₈

511.6560 Da
511.31452 Da

¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
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)
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)
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)
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)

NP0351217

8S-rosenonolactone

Not Available

C₂₀H₂₈O₃

316.4410 Da
316.20384 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0351213

chameuncinone A

Not Available

C₃₈H₅₀O₈

634.8100 Da
634.35057 Da

¹H NMR Spectrum (1D, 400.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351212

chameuncinone C

Not Available

C₃₈H₅₀O₈

634.8100 Da
634.35057 Da

¹H NMR Spectrum (1D, 400.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351211

chameuncinone D

Not Available

C₃₈H₅₀O₈

634.8100 Da
634.35057 Da

¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400.0, CDCl₃, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0351210

chameuncinone B

Not Available

C₃₈H₅₀O₈

634.8100 Da
634.35057 Da

¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400.0, CDCl₃, simulated)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0351207

antarmycin D

Not Available

C₅₃H₈₆O₂₀

1043.2510 Da
1042.57125 Da

¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 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, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 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, 700 MHz, CD3OD, experimental)

NP0351206

spiroketal polyketoester A

Not Available

C₄₇H₇₇NO₁₄

880.1260 Da
879.53441 Da

¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
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)
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)
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)
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)

NP0351205

semiantarmycin G

Not Available

C₂₀H₃₀O₅

350.4550 Da
350.20932 Da

¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 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)
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)
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)

NP0351204

semiantarmycin F

Not Available

C₂₀H₃₂O₅

352.4710 Da
352.22497 Da

¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 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)
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)

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