> Alkaloids and derivatives / Aporphines
|
(6aR)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,9-diol
|
133561790 |
Click to see
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
|
342.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
CID 12305611
|
12305611 |
Click to see
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
|
342.40 |
unknown |
via CMAUP database |
Glaucine
|
16754 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
|
355.40 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Laurolitsine
|
22179 |
Click to see
COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
|
313.30 |
unknown |
via CMAUP database |
> Alkaloids and derivatives / Benzophenanthridine alkaloids / Dihydrobenzophenanthridine alkaloids
|
[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]methanol
|
154496264 |
Click to see
CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)CO
|
379.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-6-yl)propan-2-one
|
101664488 |
Click to see
CC(=O)CC1=CC2=C(C3=CC4=C(C=C13)OCO4)N(CC5=C2C=CC(=C5OC)OC)C
|
405.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
15-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
|
162887133 |
Click to see
CC1=CC2=C(C3=C1C4=C(C5=CC6=C(C=C5C=C4)OCO6)NC3)OCO2
|
333.30 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
4-Pyridinecarbonitrile, 2-(1-(12,13-dihydro-1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridin-13-yl)ethyl)-, (R*,S*)-
|
158909 |
Click to see
CC(C1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)C6=NC=CC(=C6)C#N
|
479.50 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1248/CPB.39.1340 |
Acetonylchelerythrine
|
185516 |
Click to see
CC(=O)CC1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5
|
405.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
Bocconoline
|
181121 |
Click to see
CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)CO
|
379.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Dihydrochelerythrine
|
485077 |
Click to see
CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5
|
349.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Alkaloids and derivatives / Benzophenanthridine alkaloids / Secobenzophenanthridine alkaloids
|
Arnottianamide
|
3085181 |
Click to see
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=C(C(=C(C=C4)OC)OC)O
|
381.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1016/J.BMC.2005.07.050 |
N-[6-(2-hydroxy-4,5-dimethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide
|
14189418 |
Click to see
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=CC(=C(C=C4O)OC)OC
|
381.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1016/S0031-9422(00)97039-0 |
> Alkaloids and derivatives / Protoberberine alkaloids and derivatives
|
(R)-Canadine
|
443422 |
Click to see
COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
|
339.40 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
(S)-Canadine
|
21171 |
Click to see
COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
|
339.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Canadine
|
34458 |
Click to see
COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
|
339.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzamides
|
N-(4-methoxyphenethyl)benzamide
|
3083797 |
Click to see
COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2
|
255.31 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 |
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
|
6482976 |
Click to see
COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O
|
271.31 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]benzamide
|
6482975 |
Click to see
COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)OC
|
285.34 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
|
25208283 |
Click to see
CN(CCC1=CC=C(C=C1)OC)C(=O)C2=CC=CC=C2
|
269.34 |
unknown |
https://doi.org/10.1021/NP800689B |
Tembamide
|
177583 |
Click to see
COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O
|
271.31 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
4-Hydroxybenzoic acid
|
135 |
Click to see
C1=CC(=CC=C1C(=O)O)O
|
138.12 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
|
Syringic acid
|
10742 |
Click to see
COC1=CC(=CC(=C1O)OC)C(=O)O
|
198.17 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
Vanillic Acid
|
8468 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)O
|
168.15 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
|
Methylparaben
|
7456 |
Click to see
COC(=O)C1=CC=C(C=C1)O
|
152.15 |
unknown |
https://doi.org/10.1021/NP800689B https://doi.org/10.1002/JCCS.200300178 |
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
|
3,4,5-Trimethoxybenzaldehyde
|
6858 |
Click to see
COC1=CC(=CC(=C1OC)OC)C=O
|
196.20 |
unknown |
https://doi.org/10.1021/NP800689B |
> Benzenoids / Benzene and substituted derivatives / Benzylethers
|
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzamide
|
78413246 |
Click to see
COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)OC
|
285.34 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Benzenoids / Phenol ethers
|
(2S)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbutan-1-ol
|
101884612 |
Click to see
CC(CCOC1=CC=C(C=C1)CCCO)CO
|
238.32 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
(E)-4-[4-(3-Hydroxypropyl)phenoxy]-2-methyl-2-butenoic acid methyl ester
|
102283618 |
Click to see
CC(=CCOC1=CC=C(C=C1)CCCO)C(=O)OC
|
264.32 |
unknown |
https://doi.org/10.1021/NP800689B |
4-(4-Hydroxy-3-methylbutoxy)benzaldehyde
|
25208284 |
Click to see
CC(CCOC1=CC=C(C=C1)C=O)CO
|
208.25 |
unknown |
https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1021/NP800689B |
4-[(3R)-4-hydroxy-3-methylbutoxy]benzaldehyde
|
162996836 |
Click to see
CC(CCOC1=CC=C(C=C1)C=O)CO
|
208.25 |
unknown |
https://doi.org/10.1021/NP800689B |
4-[(3S)-4-hydroxy-3-methylbutoxy]benzaldehyde
|
162996837 |
Click to see
CC(CCOC1=CC=C(C=C1)C=O)CO
|
208.25 |
unknown |
https://doi.org/10.1021/NP800689B |
Benzenepropanol, 4-(4-hydroxy-3-methylbutoxy)-
|
3009277 |
Click to see
CC(CCOC1=CC=C(C=C1)CCCO)CO
|
238.32 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Methyl 4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate
|
91187483 |
Click to see
CC(=CCOC1=CC=C(C=C1)CCCO)C(=O)OC
|
264.32 |
unknown |
https://doi.org/10.1021/NP800689B |
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
|
N-[2-(4-Hydroxyphenyl)ethyl]benzamide
|
577614 |
Click to see
C1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)O
|
241.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 |
> Benzenoids / Phenols / Methoxyphenols
|
2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-
|
119216 |
Click to see
COC1=CC(=CC(=C1O)OC)C=CC=O
|
208.21 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Sinapaldehyde
|
5280802 |
Click to see
COC1=CC(=CC(=C1O)OC)C=CC=O
|
208.21 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Syringaldehyde
|
8655 |
Click to see
COC1=CC(=CC(=C1O)OC)C=O
|
182.17 |
unknown |
https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1021/NP800689B https://doi.org/10.1002/JCCS.200300178 |
Vanillin
|
1183 |
Click to see
COC1=C(C=CC(=C1)C=O)O
|
152.15 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Benzenoids / Tetralins
|
(4R)-3,4-Dihydro-4-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
|
102352797 |
Click to see
CC1=CC2=C(C=C1)C(CCC2=O)(C)O
|
190.24 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
3,4-Dihydro-4-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
|
54373478 |
Click to see
CC1=CC2=C(C=C1)C(CCC2=O)(C)O
|
190.24 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Hentriacontane
|
12410 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
436.80 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Aryltetralin lignans / 9,9p-dihydroxyaryltetralin lignans
|
(-)-Lyoniresinol
|
9888378 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO
|
420.50 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Lyoniresinol
|
317840 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO
|
420.50 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lignans, neolignans and related compounds / Furanoid lignans
|
(-)-Asarinin
|
11869417 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
(-)-Pinoresinol
|
12309636 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
(-)-Sesamin
|
382073 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
(+/-)-Pinoresinol
|
234817 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1055/S-2005-864144 |
Asarinin
|
101612 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
https://doi.org/10.1021/NP800689B |
Epipinoresinol
|
637584 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
Episesamin
|
5204 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1021/NP800689B |
Syringaresinol
|
100067 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
|
418.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Syringaresinol, (+)-
|
443023 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
|
418.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
|
8'-Episesaminone
|
53462696 |
Click to see
C1C(C(C(O1)C2=CC3=C(C=C2)OCO3)CO)C(=O)C4=CC5=C(C=C4)OCO5
|
370.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Sesaminone
|
158370 |
Click to see
C1C(C(C(O1)C2=CC3=C(C=C2)OCO3)CO)C(=O)C4=CC5=C(C=C4)OCO5
|
370.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-
|
11002708 |
Click to see
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
354.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one
|
327062 |
Click to see
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
354.40 |
unknown |
https://doi.org/10.1021/NP800689B https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1016/J.JCHROMB.2013.04.006 |
3,4-Bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
345761 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Hinokinin
|
442879 |
Click to see
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
354.40 |
unknown |
https://doi.org/10.1021/NP800689B |
Matairesinol
|
119205 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
|
Methyl palmitate
|
8181 |
Click to see
CCCCCCCCCCCCCCCC(=O)OC
|
270.50 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
7,10-Dihydroxytetradec-5-en-8-ynoic acid
|
74318833 |
Click to see
CCCCC(C#CC(C=CCCCC(=O)O)O)O
|
254.32 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
|
(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
|
5321102 |
Click to see
CC=CC=CC=CCCC=CC=CC(=O)NC(C)C
|
259.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00683-8 https://doi.org/10.1248/CPB.29.1791 https://doi.org/10.1271/BBB.69.1951 |
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
|
25195169 |
Click to see
CC(C)CNC(=O)C=CC=CC(=O)C
|
195.26 |
unknown |
https://doi.org/10.1021/NP800689B |
gamma-Sanshool
|
6440615 |
Click to see
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)C
|
273.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00683-8 https://doi.org/10.1248/CPB.29.1791 https://doi.org/10.1271/BBB.69.1951 https://doi.org/10.1016/S0031-9422(97)84398-1 https://doi.org/10.1016/S0031-9422(99)00175-2 |
Hydroxy gamma-sanshool
|
5318129 |
Click to see
CC=CC=CC=CCCC=CC=CC(=O)NC(C)(C)O
|
275.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00683-8 https://doi.org/10.1248/CPB.29.1791 https://doi.org/10.1021/JF0728101 https://doi.org/10.1016/S0031-9422(99)00175-2 |
Hydroxy-gamma-Sanshool
|
14135317 |
Click to see
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
|
289.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00683-8 https://doi.org/10.1016/S0031-9422(99)00175-2 |
N-(2-hydroxy-2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide
|
162920321 |
Click to see
CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)(C)O
|
307.40 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
N-(2-hydroxy-2-methylpropyl)-8-oxotetradeca-2,4-dienamide
|
162968253 |
Click to see
CCCCCCC(=O)CCC=CC=CC(=O)NCC(C)(C)O
|
309.40 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
|
74405774 |
Click to see
CC(C)CNC(=O)C=CC=CC(=O)C
|
195.26 |
unknown |
https://doi.org/10.1021/NP800689B |
N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
|
157273 |
Click to see
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)C
|
273.40 |
unknown |
https://doi.org/10.1248/CPB.29.1791 |
N-Isobutyl-(2E,4E)-tetradecadienamide
|
10731388 |
Click to see
CCCCCCCCCC=CC=CC(=O)NCC(C)C
|
279.50 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
|
(E)-(7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-ol
|
145386 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
|
296.50 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Phytol
|
5280435 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
|
296.50 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
|
(1R,3R,4R,4aS,8S,8aR)-4-[2-(furan-3-yl)ethyl]-8-(hydroxymethyl)-3,4a,8-trimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalene-1,4-diol
|
38350347 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O
|
336.50 |
unknown |
via CMAUP database |
Marrubenol
|
10449689 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O
|
336.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
|
[(1R,2S,8S,9R,10S,11S,12R,13S)-13-acetyloxy-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
|
139031631 |
Click to see
CC(=O)OCC1(C(CCC23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)OC(=O)C)C
|
448.50 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Villanovane, atisane, trachylobane or helvifulvane diterpenoids / Atisane diterpenoids / Danudatine-type diterpenoid alkaloids
|
(1S,5R,10R,11S,12R,13S,15S,16R)-12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,12-diol
|
102465295 |
Click to see
CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6O)(CO)O
|
347.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(4aR,5S,8R,8aR)-8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
|
11379715 |
Click to see
CC1=CC2C(CCC(C2CC1=O)(C)OC)C(C)C
|
250.38 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
(4aR,5S,8S,8aS)-8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
|
11357159 |
Click to see
CC1=CC2C(CCC(C2CC1=O)(C)OC)C(C)C
|
250.38 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
8-Methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
|
72815139 |
Click to see
CC1=CC2C(CCC(C2CC1=O)(C)OC)C(C)C
|
250.38 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
Isocaryophyllene oxide
|
1742211 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Agarofurans
|
Celorbicol 9-acetate 1,6-dibenzoate
|
44561176 |
Click to see
CC1CCC(C2(C13C(C(CC2OC(=O)C)C(O3)(C)C)OC(=O)C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5
|
520.60 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
beta-Spathulenol
|
522266 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Spathulenol
|
92231 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Trichothecenes
|
(1S,2R,7R,9R,10R,11S,12R)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
|
6325746 |
Click to see
CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)O)C)CO
|
312.31 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-
|
400073 |
Click to see
CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C
|
298.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Auraptene
|
1550607 |
Click to see
CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C
|
298.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(3S,4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,14a-tetradecahydropicen-3-ol
|
154497735 |
Click to see
CC1(CCC2(CCC3(C(C2C1)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP800689B |
(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate
|
345510 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Beta-Amyrin
|
73145 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1021/NP800689B https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
beta-Amyrin acetate
|
92156 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
Friedelan-3-one
|
244297 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
Friedelin
|
91472 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
Lup-20(29)-en-3-one
|
323075 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
Lup-20(29)-en-3beta-ol, acetate
|
323074 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
Lupenone
|
92158 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
Lupeol Acetate
|
92157 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
Olean-12-en-3beta-ol
|
225689 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1021/NP800689B https://doi.org/10.1016/J.BMC.2005.07.050 |
Squalene
|
638072 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
Super Squalene; trans-Squalene;AddaVax
|
1105 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
|
5-Pregnen-3beta-ol-20-one
|
1027 |
Click to see
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
316.50 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
Pregnenolone
|
8955 |
Click to see
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
316.50 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Vitamin D and derivatives
|
(1R,3aS,4E,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4-[(2Z)-2-[(5S)-5-hydroperoxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
|
163080775 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)OO)C
|
412.60 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
1-(5,6-dimethylhept-3-en-2-yl)-4-[2-(5-hydroperoxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
|
163080774 |
Click to see
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)OO)C
|
412.60 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Organic acids and derivatives / Carboximidic acids and derivatives / Carboximidic acids
|
2,4-Tetradecadienoic acid isobutyl amide
|
85248609 |
Click to see
CCCCCCCCCC=CC=CC(=O)NCC(C)C
|
279.50 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
|
Betonicine
|
164642 |
Click to see
C[N+]1(CC(CC1C(=O)[O-])O)C
|
159.18 |
unknown |
via CMAUP database |
L-Turicine
|
1550239 |
Click to see
C[N+]1(CC(CC1C(=O)[O-])O)C
|
159.18 |
unknown |
via CMAUP database |
Turicine
|
6560290 |
Click to see
C[N+]1(CC(CC1C(=O)[O-])O)C
|
159.18 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
Forsythoside B
|
23928102 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
|
756.70 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
|
4-Hydroxybenzaldehyde
|
126 |
Click to see
C1=CC(=CC=C1C=O)O
|
122.12 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1021/NP800689B https://doi.org/10.1016/J.BMC.2005.07.050 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
|
4-Methoxycyclohept-4-en-1-one
|
130031477 |
Click to see
COC1=CCCC(=O)CC1
|
140.18 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
2-Tridecanone
|
11622 |
Click to see
CCCCCCCCCCCC(=O)C
|
198.34 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
|
2-[7-Hydroxy-2-(2-hydroxypropyl)-8-methoxy-4-oxo-2,3-dihydrochromen-5-yl]acetic acid
|
162909912 |
Click to see
CC(CC1CC(=O)C2=C(O1)C(=C(C=C2CC(=O)O)O)OC)O
|
310.30 |
unknown |
https://doi.org/10.1002/JCCS.200300178 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(1R,4S,8S,9R,10S,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
|
25728881 |
Click to see
CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C
|
332.40 |
unknown |
via CMAUP database |
Marrubiin
|
73401 |
Click to see
CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C
|
332.40 |
unknown |
via CMAUP database |
Premarrubiin
|
168199 |
Click to see
CC1CC2C3C(CCCC3(C14CCC5(O4)COC=C5)C)(C(=O)O2)C
|
332.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives
|
5,9-Dimethoxy-[1,3]dioxolo[4,5-b]quinoline
|
86056941 |
Click to see
COC1=CC=CC2=C1N=C3C(=C2OC)OCO3
|
233.22 |
unknown |
https://doi.org/10.1021/NP800689B |
> Organoheterocyclic compounds / Quinolines and derivatives / Benzoquinolines / Phenanthridines and derivatives
|
1-(3,4-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-6-yl)propan-2-one
|
162951498 |
Click to see
CC(=O)CC1=CC2=C(C3=CC4=C(C=C13)OCO4)N(CC5=C2C(=C(C=C5)OC)OC)C
|
405.40 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Decarine
|
179640 |
Click to see
COC1=C(C=CC2=C3C=CC4=CC5=C(C=C4C3=NC=C21)OCO5)O
|
319.30 |
unknown |
https://doi.org/10.1021/NP800689B https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1016/J.BMC.2005.07.050 |
Nitidine
|
4501 |
Click to see
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
|
348.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
Norchelerythrine
|
443719 |
Click to see
COC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC
|
333.30 |
unknown |
https://doi.org/10.1021/NP800689B https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1016/J.BMC.2005.07.050 |
Oxynitidine
|
97597 |
Click to see
CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC
|
363.40 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 |
> Organoheterocyclic compounds / Quinolines and derivatives / Dihydrofuranoquinolines
|
2-(4-Methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propan-2-ol
|
12314372 |
Click to see
CC(C)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O
|
259.30 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Platydesmine
|
6451457 |
Click to see
CC(C)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O
|
259.30 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Organoheterocyclic compounds / Quinolines and derivatives / Furanoquinolines
|
4-Methoxyfuro(2,3-b)quinolin-7-ol
|
135438120 |
Click to see
COC1=C2C=COC2=NC3=C1C=CC(=C3)O
|
215.20 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
Dictamnine
|
68085 |
Click to see
COC1=C2C=COC2=NC3=CC=CC=C31
|
199.20 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1016/S0031-9422(00)97039-0 |
Evolitrine
|
196980 |
Click to see
COC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC
|
229.23 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Gamma-Fagarine
|
107936 |
Click to see
COC1=CC=CC2=C1N=C3C(=C2OC)C=CO3
|
229.23 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1021/NP800689B |
Haplopine
|
5281846 |
Click to see
COC1=C2C=COC2=NC3=C1C=CC(=C3OC)O
|
245.23 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Pteleine
|
159650 |
Click to see
COC1=CC2=C(C=C1)N=C3C(=C2OC)C=CO3
|
229.23 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Robustine
|
164950 |
Click to see
COC1=C2C=COC2=NC3=C1C=CC=C3O
|
215.20 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Skimmianine
|
6760 |
Click to see
COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
|
259.26 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
|
4-Methoxy-1-methylquinolin-2-one
|
182073 |
Click to see
CN1C2=CC=CC=C2C(=CC1=O)OC
|
189.21 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1016/J.BMC.2005.07.050 |
Edulitine
|
826073 |
Click to see
COC1=CC=CC2=C1NC(=O)C=C2OC
|
205.21 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
4-[5-(3-Hydroxyprop-1-enyl)-7-methoxy-1-benzofuran-2-yl]-2-methoxyphenol
|
78384854 |
Click to see
COC1=CC(=CC2=C1OC(=C2)C3=CC(=C(C=C3)O)OC)C=CCO
|
326.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 |
Ailanthoidol
|
5316929 |
Click to see
COC1=CC(=CC2=C1OC(=C2)C3=CC(=C(C=C3)O)OC)C=CCO
|
326.30 |
unknown |
https://doi.org/10.3892/OR.16.4.921 https://doi.org/10.1016/S0031-9422(00)97039-0 |
> Phenylpropanoids and polyketides / Cinnamaldehydes
|
3-(4-Hydroxyphenyl)prop-2-enal
|
440733 |
Click to see
C1=CC(=CC=C1C=CC=O)O
|
148.16 |
unknown |
https://doi.org/10.1021/NP800689B |
p-Coumaraldehyde
|
641301 |
Click to see
C1=CC(=CC=C1C=CC=O)O
|
148.16 |
unknown |
https://doi.org/10.1021/NP800689B |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
44429837 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
|
624.60 |
unknown |
via CMAUP database |
3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
|
74405773 |
Click to see
CN(CCC1=CC=C(C=C1)OC)C(=O)C=CC2=CC=C(C=C2)O
|
311.40 |
unknown |
https://doi.org/10.1021/NP800689B |
Ailanthamide
|
25195168 |
Click to see
CN(CCC1=CC=C(C=C1)OC)C(=O)C=CC2=CC=C(C=C2)O
|
311.40 |
unknown |
https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1021/NP800689B |
Phaselic acid, (-)-
|
92299542 |
Click to see
C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C(=O)O)O)O
|
296.23 |
unknown |
via CMAUP database |
Tetracosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
54412038 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
|
530.80 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
Tetracosyl ferulate
|
14238617 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
|
530.80 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
|
2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
|
92203 |
Click to see
COC(=O)C=CC1=CC=C(C=C1)O
|
178.18 |
unknown |
https://doi.org/10.1021/NP800689B |
Methyl 4-hydroxycinnamate
|
5319562 |
Click to see
COC(=O)C=CC1=CC=C(C=C1)O
|
178.18 |
unknown |
https://doi.org/10.1021/NP800689B |
> Phenylpropanoids and polyketides / Cinnamyl alcohols
|
(2S)-4-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]-2-methylbutan-1-ol
|
101884610 |
Click to see
CC(CCOC1=CC=C(C=C1)C=CCO)CO
|
236.31 |
unknown |
https://doi.org/10.1021/NP800689B |
Ailanthoidiol
|
5316925 |
Click to see
CC(CCOC1=CC=C(C=C1)C=CCO)CO
|
236.31 |
unknown |
https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1021/NP800689B |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)-
|
155937 |
Click to see
CC(=CCC1=C2C(=CC(=C1OC)OC)C=CC(=O)O2)C
|
274.31 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
5,7,8-Trimethoxycoumarin
|
6482974 |
Click to see
COC1=CC(=C(C2=C1C=CC(=O)O2)OC)OC
|
236.22 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1002/JCCS.200300178 |
Dimethylfraxetin
|
3083928 |
Click to see
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC
|
236.22 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1021/NP800689B https://doi.org/10.1016/J.BMC.2005.07.050 |
N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide
|
162910243 |
Click to see
C1=CC=C2C(=C1)C(=CC(=O)O2)C(=O)NCCC3=CC=C(C=C3)O
|
309.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 |
Scoparone
|
8417 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
|
206.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1021/NP800689B https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
|
7-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
320361 |
Click to see
C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
|
324.28 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
|
2-(2-Hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
|
604512 |
Click to see
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
|
246.26 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Marmesin
|
334704 |
Click to see
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
|
246.26 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
|
Bergapten
|
2355 |
Click to see
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
|
216.19 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1021/NP800689B https://doi.org/10.1016/J.BMC.2005.07.050 |
Phellopterin
|
98608 |
Click to see
CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C
|
300.30 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
|
Isopimpinellin
|
68079 |
Click to see
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
|
246.21 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.73.7_770 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
7-Hydroxy-8-methoxycoumarin
|
5316302 |
Click to see
COC1=C(C=CC2=C1OC(=O)C=C2)O
|
192.17 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1002/JCCS.200300178 |
Umbelliferone
|
5281426 |
Click to see
C1=CC(=CC2=C1C=CC(=O)O2)O
|
162.14 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
|
4-Methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
|
89183022 |
Click to see
CC1(C=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC)C
|
258.27 |
unknown |
https://doi.org/10.1016/J.BMC.2005.07.050 |
Luvangetin
|
343582 |
Click to see
CC1(C=CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC)C
|
258.27 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1016/J.BMC.2005.07.050 |
Xanthyletin
|
65188 |
Click to see
CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
|
228.24 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97039-0 https://doi.org/10.1016/J.BMC.2005.07.050 https://doi.org/10.1055/S-0029-1234991 https://doi.org/10.1248/YAKUSHI1947.103.3_279 https://doi.org/10.1021/NP800689B |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Apigenin
|
5280443 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
270.24 |
unknown |
via CMAUP database |
Luteolin
|
5280445 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
https://doi.org/10.1002/JCCS.200300178 https://doi.org/10.1016/J.BMC.2005.07.050 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
|
Vicenin 2
|
442664 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
|
594.50 |
unknown |
via CMAUP database |
Vitexin
|
5280441 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
|
Luteolin 7-glucuronide
|
5280601 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
|
462.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
Apigetrin
|
5280704 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
Echinacin
|
6439941 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O
|
578.50 |
unknown |
via CMAUP database |
Luteolin 7-O-glucoside
|
5280637 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Ladanein
|
3084066 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O
|
314.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Cinnamylphenols
|
Xenognosin A
|
5281296 |
Click to see
COC1=C(C=CC(=C1)O)CC=CC2=CC=C(C=C2)O
|
256.30 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Stilbenes
|
(-)-Evofolin B
|
46229015 |
Click to see
COC1=C(C=CC(=C1)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)O
|
318.32 |
unknown |
https://doi.org/10.1021/NP800689B |
(R)-1,2-Bis(3-methoxy-4-hydroxyphenyl)-3-hydroxy-1-propanone
|
101504852 |
Click to see
COC1=C(C=CC(=C1)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)O
|
318.32 |
unknown |
https://doi.org/10.1021/NP800689B |
Evofolin B
|
5317306 |
Click to see
COC1=C(C=CC(=C1)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)O
|
318.32 |
unknown |
https://doi.org/10.1021/NP800689B https://doi.org/10.1055/S-0029-1234991 |