Exact Mass: 414.226694

CONFIDENCE Reference Standard (Level 1)

(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside

2-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is isolated from potatoes infected with Phoma exigu Isolated from potatoes infected with Phoma exigua. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato.

(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside

2-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is found in potato. (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is a constituent of potato tubers infected with Phoma foveata and Fusarium species. Constituent of potato tubers infected with Phoma foveata and Fusarium subspecies (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is found in potato.

2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one

2-(2-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one can be found in potato, which makes 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one a potential biomarker for the consumption of this food product.

Me ester-alpha-Methyl-1-(2,3,4,9-tetrahydro-2-methyl-1H-carbazol-1-yl)-1H-indole-3-butanoic acid|methyl 2-methyl-4-(N-2beta-methyl-1,2,3,4-tetrahydrocarbazol-1alpha-ylindol-3-yl)butanoate

(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 8-O-beta-D-glucopyranoside|torilolone 8-O-beta-D-glucopyranoside

pseudoguaian-1alpha(H)-8alpha,12-olide-4beta-O-beta-D-glucopyranoside

eudesman-8beta,12-olide-1-O-beta-D-glucopyranoside

aeginetic acid 5-O-beta-D-quinovoside

(1R,7R,10S)-7-hydroxy-11-O-beta-D-glucopyranosyl-4-guaien-3-one

10-hydroxy-2,6,10-trimethyl-2E,6E,11-dodecatrienoic acid 10-O-beta-d-glucopyranoside

(7R,10R)-10,11-dihydro-10,11-dihydroxyxanthorrhizol 3-O-beta-D-glucopyranoside|5-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-2-methylphenyl beta-D-glucopyranoside

culcitiolide J

(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 11-O-beta-D-glucopyranoside|torilolone 11-O-beta-D-glucopyranoside

anhuienoside A

Glycocaudatin

Ile Pro Trp

Pro Ile Trp

Pro Trp Ile

Trp Pro Ile

Gly Lys Asn Pro

(2S)-1-[(2S)-2-[(2S)-6-amino-2-(2-aminoacetamido)hexanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

Gly Lys Pro Asn

(2S)-2-{[(2S)-1-[(2S)-6-amino-2-(2-aminoacetamido)hexanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid

Gly Asn Lys Pro

(2S)-1-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]hexanoyl]pyrrolidine-2-carboxylic acid

Gly Asn Pro Lys

(2S)-6-amino-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

Gly Pro Lys Asn

(2S)-2-[(2S)-6-amino-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid

Gly Pro Asn Lys

(2S)-6-amino-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]hexanoic acid

Trp Pro Leu

Ile Trp Pro

Pro Trp Leu

Lys Gly Asn Pro

(2S)-1-[(2S)-3-carbamoyl-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}propanoyl]pyrrolidine-2-carboxylic acid

Lys Gly Pro Asn

(2S)-3-carbamoyl-2-{[(2S)-1-{2-[(2S)-2,6-diaminohexanamido]acetyl}pyrrolidin-2-yl]formamido}propanoic acid

Trp Leu Pro

Lys Asn Gly Pro

(2S)-1-{2-[(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanamido]acetyl}pyrrolidine-2-carboxylic acid

Lys Asn Pro Gly

2-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanoyl]pyrrolidin-2-yl]formamido}acetic acid

Lys Pro Gly Asn

(2S)-3-carbamoyl-2-(2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}acetamido)propanoic acid

Lys Pro Asn Gly

2-[(2S)-3-carbamoyl-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}propanamido]acetic acid

Leu Trp Pro

Pro Leu Trp

Asn Gly Lys Pro

(2S)-1-[(2S)-6-amino-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}hexanoyl]pyrrolidine-2-carboxylic acid

Asn Gly Pro Lys

(2S)-6-amino-2-{[(2S)-1-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetyl}pyrrolidin-2-yl]formamido}hexanoic acid

Asn Lys Gly Pro

(2S)-1-{2-[(2S)-6-amino-2-[(2S)-2-amino-3-carbamoylpropanamido]hexanamido]acetyl}pyrrolidine-2-carboxylic acid

Asn Lys Pro Gly

2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-3-carbamoylpropanamido]hexanoyl]pyrrolidin-2-yl]formamido}acetic acid

Asn Pro Gly Lys

(2S)-6-amino-2-(2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)hexanoic acid

Asn Pro Lys Gly

2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}hexanamido]acetic acid

Pro Gly Lys Asn

(2S)-2-[(2S)-6-amino-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}hexanamido]-3-carbamoylpropanoic acid

Pro Gly Asn Lys

(2S)-6-amino-2-[(2S)-3-carbamoyl-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanamido]hexanoic acid

Pro Lys Gly Asn

(2S)-2-{2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]acetamido}-3-carbamoylpropanoic acid

Pro Lys Asn Gly

2-[(2S)-2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]-3-carbamoylpropanamido]acetic acid

Pro Asn Gly Lys

(2S)-6-amino-2-{2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]acetamido}hexanoic acid

Pro Asn Lys Gly

2-[(2S)-6-amino-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]hexanamido]acetic acid

Trp Ile Pro

Leu Pro Trp

methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate

methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate

methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate

(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside

2-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside

2-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

FA 21:4;O6

methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate

4,4-BIS(2,5-DIMETHYLSTYRYL)BIPHENYL

C32H30 (414.234738)

Asimadoline

C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

benzyl N-methyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]carbamate

Tetraethyl decane-1,10-diylbis(phosphonate)

C18H40O6P2 (414.23)

Palovarotene

C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent M - Musculo-skeletal system

2-Ethylhexyl 4-phenylbenzophenone-2-carboxylate

C28H30O3 (414.21948299999997)

C1892 - Chemopreventive Agent > C851 - Sunscreen

2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one

1-(3-(9H-Carbazol-9-yl)propyl)-4-(2-methoxyphenyl)piperidin-4-ol

6-hydroxy-N-[(2S)-3-hydroxy-1-({1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl}amino)-1-oxopropan-2-yl]-6-methylheptanamide

C20H34N2O7 (414.2365894)

Pro-Leu-Trp

C21H35O6P-2 (414.21711400000004)

1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2-)

(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidinecarboxamide

C24H26N6O (414.2167986)

tert-butyl (6-{(2E)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl}-6-oxohexyl)carbamate

JKLM ring

Pro-Trp-Leu

Trp-Pro-Leu

Trp-Leu-Pro

(1R,5S)-6-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Ile-Trp-Pro

Pro-Ile-Trp

Ile-Pro-Trp

Leu-Pro-Trp

Leu-Trp-Pro

Pro-Trp-Ile

Trp-Ile-Pro

Trp-Pro-Ile

C21H35O6P (414.21711400000004)

TMC-86B

C20H34N2O7 (414.2365894)

An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-(6-hydroxy-6-methylheptanoyl)-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces.

1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2-)

A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-O-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate; major species at pH 7.3.

ST 21:1;O8

5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one

3,7-dimethyl-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one

(3s,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one

(3r,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one

(3s,3as,6r,6as,9s,9ar,9br)-3,6,9a-trimethyl-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[4,5-b]furan-2-one

3,4a,8-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one

(3r,3ar,4as,5s,8s,8ar,9ar)-3,5,8a-trimethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,3-b]furan-2-one

aeginetic acid 5-O-β-D-quinovoside