> Alkaloids and derivatives / Rhoeadine alkaloids
|
(1R,11S)-11,16,17-trimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene
|
5320410 |
Click to see
COC1C2=C(C=CC3=C2OCO3)C4C(O1)C5=CC(=C(C=C5CCN4)OC)OC
|
385.40 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives
|
1,3-Dibenzylurea
|
72889 |
Click to see
C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2
|
240.30 |
unknown |
via CMAUP database |
Benzylcarbamic Acid
|
230054 |
Click to see
C1=CC=C(C=C1)CNC(=O)O
|
151.16 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Aminobenzoic acids and derivatives / Aminobenzoic acids
|
4-Aminobenzoic acid
|
978 |
Click to see
C1=CC(=CC=C1C(=O)O)N
|
137.14 |
unknown |
via CMAUP database |
> 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 |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
Methyl vanillate
|
19844 |
Click to see
COC1=C(C=CC(=C1)C(=O)OC)O
|
182.17 |
unknown |
via CMAUP database |
> 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 |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzyl cyanides
|
Phenylacetonitrile
|
8794 |
Click to see
C1=CC=C(C=C1)CC#N
|
117.15 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Furanoid lignans
|
Pinoresinol
|
73399 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
via CMAUP database |
Sesamin
|
72307 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Arachidic Acid
|
10467 |
Click to see
CCCCCCCCCCCCCCCCCCCC(=O)O
|
312.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
|
Behenic Acid
|
8215 |
Click to see
CCCCCCCCCCCCCCCCCCCCCC(=O)O
|
340.60 |
unknown |
via CMAUP database |
Octacosanoic acid
|
10470 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
|
424.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
|
2,3-dihydroxypropyl (9Z)-octadec-9-enoate
|
25021708 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
|
356.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
Beta-Carotene
|
5280489 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
|
536.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
all-trans-Neoxanthin
|
5281247 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C
|
600.90 |
unknown |
via CMAUP database |
Lutein
|
5281243 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
via CMAUP database |
Violaxanthin
|
448438 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
via CMAUP database |
Zeaxanthin
|
5280899 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
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 |
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
CID 16058264
|
16058264 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O
|
841.30 |
unknown |
via CMAUP database |
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 |
> Nucleosides, nucleotides, and analogues / Purine nucleosides
|
Adenosine
|
60961 |
Click to see
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
|
267.24 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
|
Asperglaucide
|
10026486 |
Click to see
CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
|
444.50 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
(1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
|
91492 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
354.31 |
unknown |
via CMAUP database |
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
|
9476 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
354.31 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
Benzyl beta-d-glucopyranoside
|
188977 |
Click to see
C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
|
270.28 |
unknown |
via CMAUP database |
Benzyl beta-primeveroside
|
131248 |
Click to see
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O
|
402.40 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
(2R,3S,4S,5R,6R)-2-methyl-6-phenoxyoxane-3,4,5-triol
|
11379460 |
Click to see
CC1C(C(C(C(O1)OC2=CC=CC=C2)O)O)O
|
240.25 |
unknown |
via CMAUP database |
(4-Methoxybenzyl)thiocarbamic acid 4'-O-(tri-O-acetyl-alpha-L-rhamnopyranoside)
|
10367398 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC)OC(=O)C)OC(=O)C)OC(=O)C
|
469.50 |
unknown |
via CMAUP database |
(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside)
|
10323025 |
Click to see
CCOC(=S)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)OC(=O)C)OC(=O)C)OC(=O)C
|
483.50 |
unknown |
via CMAUP database |
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-3-yl] acetate
|
46933086 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)OC(=O)C)O)O
|
353.40 |
unknown |
via CMAUP database |
[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl] acetate
|
46932936 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)OC(=O)C)O
|
353.40 |
unknown |
via CMAUP database |
2-[4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]acetonitrile
|
11419325 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC#N)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
441.40 |
unknown |
via CMAUP database |
3-Hydroxy-4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]benzeneacetonitrile
|
9926158 |
Click to see
CC1C(C(C(C(O1)OC2=C(C=C(C=C2)CC#N)O)O)O)O
|
295.29 |
unknown |
via CMAUP database |
4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde
|
10018247 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=O)O)O)OC(=O)C
|
310.30 |
unknown |
via CMAUP database |
4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzyl isothiocyanate
|
10291650 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)O)OC(=O)C
|
353.40 |
unknown |
via CMAUP database |
4-(Rhamnosyloxy)phenylacetonitrile
|
129556 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC#N)O)O)O
|
279.29 |
unknown |
via CMAUP database |
4-Hydroxybenzaldehyde rhamnoside
|
11777785 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=O)O)O)O
|
268.26 |
unknown |
via CMAUP database |
4-Hydroxyphenylacetonitrile triacetylrhamnoside
|
101919835 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC#N)OC(=O)C)OC(=O)C)OC(=O)C
|
405.40 |
unknown |
via CMAUP database |
Ethyl 4-(rhamnosyloxy)benzylcarbamate
|
101942512 |
Click to see
CCOC(=O)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)O)O)O
|
341.36 |
unknown |
via CMAUP database |
Marumoside A
|
101794623 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC(=O)N)O)O)O
|
297.30 |
unknown |
via CMAUP database |
Marumoside B
|
101794624 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC(=O)N)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
459.40 |
unknown |
via CMAUP database |
methyl 2-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetate
|
11220666 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC(=O)OC)O)O)O
|
312.31 |
unknown |
via CMAUP database |
Moringin
|
153557 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)O)O
|
311.36 |
unknown |
via CMAUP database |
N-methoxycarbonyl-4-(alpha-l-rhamnopyranosyloxy) benzylamine
|
91101122 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=O)OC)O)O)O
|
327.33 |
unknown |
via CMAUP database |
Niazicin A
|
10068657 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)OC(=O)C
|
385.40 |
unknown |
via CMAUP database |
Niazicinin A
|
101920262 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=O)OC)O)O)OC(=O)C
|
369.40 |
unknown |
via CMAUP database |
Niazidin
|
11792427 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC#N)O)O)O
|
354.40 |
unknown |
via CMAUP database |
Niazimicin A
|
10247749 |
Click to see
CCOC(=S)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)O)O)O
|
357.40 |
unknown |
via CMAUP database |
Niazimin A
|
10339912 |
Click to see
CCOC(=O)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)OC(=O)C)O)O
|
383.40 |
unknown |
via CMAUP database |
Niaziminin
|
10023860 |
Click to see
CCOC(=S)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)OC(=O)C)O)O
|
399.50 |
unknown |
via CMAUP database |
Niazinin
|
10088810 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)O
|
343.40 |
unknown |
via CMAUP database |
O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
|
11431835 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
|
491.50 |
unknown |
via CMAUP database |
O-Ethyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate
|
10434741 |
Click to see
CCOC(=O)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)OC(=O)C)OC(=O)C)OC(=O)C
|
467.50 |
unknown |
via CMAUP database |
O-Methyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate
|
101919834 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
|
453.40 |
unknown |
via CMAUP database |
Pyrrolemarumine 4''-O-alpha-L-rhamnopyranoside
|
101794622 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN3C(=CC=C3C=O)CO)O)O)O
|
377.40 |
unknown |
via CMAUP database |
S-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
|
49865742 |
Click to see
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=O)SC)O)O)O
|
343.40 |
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 |
via CMAUP database |
> Organoheterocyclic compounds / Benzodioxoles
|
Sesamolin
|
101746 |
Click to see
C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
370.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
|
(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
|
6923516 |
Click to see
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+]
|
204.22 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines
|
(+)-Armepavine
|
680292 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
|
313.40 |
unknown |
via CMAUP database |
Armepavine
|
98348 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
|
313.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
Methyl 4-hydroxy-3-methoxy-cinnamate
|
16830 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)OC)O
|
208.21 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
Ferulic acid
|
445858 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Myricetin
|
5281672 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
|
318.23 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Astragalin
|
5282102 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
Isoquercetin
|
5280804 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
via CMAUP database |
kaempferol 3-O-beta-D-(6''-O-malonyl)-glucoside
|
14162699 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O
|
534.40 |
unknown |
via CMAUP database |
Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside
|
5282159 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O
|
550.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Macrolides and analogues
|
Lasiodiplodin
|
14562696 |
Click to see
CC1CCCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1
|
292.40 |
unknown |
via CMAUP database |