> Alkaloids and derivatives / Aporphines
|
1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
|
248507 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
|
327.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol
|
628557 |
Click to see
COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
|
313.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
2,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
|
98369 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
|
327.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
Boldine
|
10154 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
|
327.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
Isoboldine
|
133323 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
|
327.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
Laurolitsine
|
22179 |
Click to see
COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
|
313.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
Methyleugenol
|
7127 |
Click to see
COC1=C(C=C(C=C1)CC=C)OC
|
178.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Benzenoids / Phenol ethers / Aminophenyl ethers
|
2,4,6-Trimethoxyaniline
|
84271 |
Click to see
COC1=CC(=C(C(=C1)OC)N)OC
|
183.20 |
unknown |
via CMAUP database |
> Benzenoids / Phenol ethers / Anisoles
|
Elemicin
|
10248 |
Click to see
COC1=CC(=CC(=C1OC)OC)CC=C
|
208.25 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Estragole
|
8815 |
Click to see
COC1=CC=C(C=C1)CC=C
|
148.20 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Benzenoids / Phenols / Methoxyphenols
|
4-Hydroxy-3-methoxycinnamaldehyde
|
5280536 |
Click to see
COC1=C(C=CC(=C1)C=CC=O)O
|
178.18 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Eugenol
|
3314 |
Click to see
COC1=C(C=CC(=C1)CC=C)O
|
164.20 |
unknown |
https://doi.org/10.1021/JO01161A020 https://doi.org/10.1093/CHROMSCI/32.7.253 https://doi.org/10.1055/S-2006-959379 |
Isoeugenol
|
853433 |
Click to see
CC=CC1=CC(=C(C=C1)O)OC
|
164.20 |
unknown |
https://doi.org/10.1093/CHROMSCI/32.7.253 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
(2R,3S,4S,5R)-2,4,5,6-Tetrahydroxy-3-methoxyhexanal
|
55250310 |
Click to see
COC(C(C=O)O)C(C(CO)O)O
|
194.18 |
unknown |
https://doi.org/10.1021/BI00886A027 |
2,4,5,6-Tetrahydroxy-3-methoxyhexanal
|
298225 |
Click to see
COC(C(C=O)O)C(C(CO)O)O
|
194.18 |
unknown |
https://doi.org/10.1021/BI00886A027 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
p-CYMENE
|
7463 |
Click to see
CC1=CC=C(C=C1)C(C)C
|
134.22 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
3-Thujanone
|
11027 |
Click to see
CC1C2CC2(CC1=O)C(C)C
|
152.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
alpha-PINENE
|
6654 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
alpha-Thujone
|
12304613 |
Click to see
CC1C2CC2(CC1=O)C(C)C
|
152.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Camphor
|
2537 |
Click to see
CC1(C2CCC1(C(=O)C2)C)C
|
152.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Fenchone
|
14525 |
Click to see
CC1(C2CCC(C2)(C1=O)C)C
|
152.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(+)-alpha-Phellandrene
|
443160 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JO01161A020 |
alpha-PHELLANDRENE
|
7460 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 https://doi.org/10.1021/JO01161A020 |
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(+)-Gamma-cadinene
|
6432404 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
|
134687947 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
|
92042749 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
(1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
5315592 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
alpha-Cadinol
|
10398656 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
beta-Farnesene
|
5281517 |
Click to see
CC(=CCCC(=CCCC(=C)C=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
beta-Farnesene, (6Z)-
|
5317319 |
Click to see
CC(=CCCC(=CCCC(=C)C=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
gamma-Cadinene
|
15094 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Juniper camphor
|
521214 |
Click to see
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
gamma-EUDESMOL
|
6432005 |
Click to see
CC1=C2CC(CCC2(CCC1)C)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
Plumieride
|
72319 |
Click to see
CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O
|
470.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(1S,4S,8R,10S,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylic acid
|
38348951 |
Click to see
CCC1C2C3(C=CC4C3C(O2)OC=C4C(=O)O)OC1=O
|
278.26 |
unknown |
via CMAUP database |
Allamandin
|
5281540 |
Click to see
CC=C1C2C3(C=CC4C3C(O2)OC(C4C(=O)OC)O)OC1=O
|
308.28 |
unknown |
via CMAUP database |
Isoplumericin
|
5281543 |
Click to see
CC=C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O
|
290.27 |
unknown |
via CMAUP database |
methyl (1S,4S,8R,10S,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
|
95790359 |
Click to see
CCC1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O
|
292.28 |
unknown |
via CMAUP database |
Plumericin
|
5281545 |
Click to see
CC=C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O
|
290.27 |
unknown |
via CMAUP database |
Plumeridoid C
|
123964288 |
Click to see
CC(C1=CC2(C=CC3C2COC(C3C(=O)OC)O)OC1=O)O
|
310.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Arjunolic acid
|
73641 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
|
488.70 |
unknown |
via CMAUP database |
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 |
via CMAUP database |
Betulinic Acid
|
64971 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
via CMAUP database |
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 |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
|
(24R)-Cycloarta-25-ene-3beta,24-diol
|
14313591 |
Click to see
CC(CCC(C(=C)C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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 |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
|
(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal
|
5460291 |
Click to see
C(C(C(C(C=O)O)O)O)O
|
150.13 |
unknown |
https://doi.org/10.1021/BI00886A027 |
DL-Arabinose
|
854 |
Click to see
C(C(C(C(C=O)O)O)O)O
|
150.13 |
unknown |
https://doi.org/10.1021/BI00886A027 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzoquinones / P-benzoquinones
|
2,6-Dimethoxyquinone
|
68262 |
Click to see
COC1=CC(=O)C=C(C1=O)OC
|
168.15 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
Paroxypropione
|
6271 |
Click to see
CCC(=O)C1=CC=C(C=C1)O
|
150.17 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Enols
|
5-Methoxyeugenol
|
68661291 |
Click to see
COC1=CC(CC=C1O)(CC=C)OC
|
196.24 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
> Organoheterocyclic compounds / Benzodioxoles
|
1-(1,3-Benzodioxol-5-yl)but-3-en-2-one
|
57062094 |
Click to see
C=CC(=O)CC1=CC2=C(C=C1)OCO2
|
190.19 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Apiole
|
10659 |
Click to see
COC1=C2C(=C(C(=C1)CC=C)OC)OCO2
|
222.24 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97480-6 https://doi.org/10.1055/S-2006-959379 |
Isosafrole
|
637796 |
Click to see
CC=CC1=CC2=C(C=C1)OCO2
|
162.18 |
unknown |
https://doi.org/10.1093/CHROMSCI/32.7.253 |
Myristicin
|
4276 |
Click to see
COC1=CC(=CC2=C1OCO2)CC=C
|
192.21 |
unknown |
https://doi.org/10.1055/S-2006-959379 |
Safrole
|
5144 |
Click to see
C=CCC1=CC2=C(C=C1)OCO2
|
162.18 |
unknown |
https://doi.org/10.1093/JAOAC/80.5.1023 https://doi.org/10.1055/S-2006-959379 https://doi.org/10.1093/CHROMSCI/32.7.253 https://doi.org/10.1002/JLAC.18691520106 https://doi.org/10.1021/JO01161A020 |
> Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines
|
(R)-Reticuline
|
440586 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
4-(5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)benzene-1,2-diol
|
14602861 |
Click to see
C1CNC(C2=CC3=C(C=C21)OCO3)CC4=CC(=C(C=C4)O)O
|
299.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
4-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenol
|
605463 |
Click to see
CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)O)OCO3
|
297.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
4-[[(5S)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzene-1,2-diol
|
163000486 |
Click to see
C1CNC(C2=CC3=C(C=C21)OCO3)CC4=CC(=C(C=C4)O)O
|
299.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
4-[[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenol
|
163047154 |
Click to see
CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)O)OCO3
|
297.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
Reticulin
|
10233 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97502-2 |
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
|
Fulvoplumierin
|
5281541 |
Click to see
CC=CC=C1C=CC2=C1C(=O)OC=C2C(=O)OC
|
244.24 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyridines and derivatives
|
(7S)-3'-[(1R)-1-hydroxyethyl]spiro[5,6-dihydrocyclopenta[c]pyridine-7,5'-furan]-2'-one
|
45101897 |
Click to see
CC(C1=CC2(CCC3=C2C=NC=C3)OC1=O)O
|
231.25 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolizines
|
Plumerinine
|
14583329 |
Click to see
CC1CCC(N2C1CC(CC2C(C)C)O)C
|
225.37 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
p-Coumaric acid
|
637542 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Kaempferol
|
5280863 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
14757896 |
Click to see
COC1=CC2=C(CC(C(O2)C3=CC(=C(C(=C3)OC)O)OC)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O
|
510.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Ayanin
|
5280682 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O
|
344.30 |
unknown |
via CMAUP database |
Pilloin
|
5320496 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O
|
314.29 |
unknown |
via CMAUP database |