Exact Mass: 530.1505

Exact Mass Matches: 530.1505

Found 154 metabolites which its exact mass value is equals to given mass value 530.1505, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

ketoconazole

1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

C26H28Cl2N4O4 (530.1488)


G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AB - Imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C254 - Anti-Infective Agent CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8051; ORIGINAL_PRECURSOR_SCAN_NO 8049 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8073; ORIGINAL_PRECURSOR_SCAN_NO 8071 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8091; ORIGINAL_PRECURSOR_SCAN_NO 8089 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8102; ORIGINAL_PRECURSOR_SCAN_NO 8100 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8082; ORIGINAL_PRECURSOR_SCAN_NO 8077 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8103; ORIGINAL_PRECURSOR_SCAN_NO 8101 CONFIDENCE standard compound; INTERNAL_ID 2697 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2600 CONFIDENCE standard compound; INTERNAL_ID 8574 CONFIDENCE standard compound; INTERNAL_ID 4100 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3262 Ketoconazole (R-41400) is an imidazole anti-fungal agent, a CYP3A4 and CYP24A1 inhibitor.

   

Ketoconazole

1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one

C26H28Cl2N4O4 (530.1488)


Ketoconazole is only found in individuals that have used or taken this drug. It is a broad spectrum antifungal agent used for long periods at high doses, especially in immunosuppressed patients. [PubChem]Ketoconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary for the conversion of lanosterol to ergosterol. This results in inhibition of ergosterol synthesis and increased fungal cellular permeability. Other mechanisms may involve the inhibition of endogenous respiration, interaction with membrane phospholipids, inhibition of yeast transformation to mycelial forms, inhibition of purine uptake, and impairment of triglyceride and/or phospholipid biosynthesis. Ketoconazole can also inhibit the synthesis of thromboxane and sterols such as aldosterone, cortisol, and testosterone. Ketoconazole (pronounced /ˌkiːtoʊˈkoʊnəzoʊl/) is a synthetic antifungal drug used to prevent and treat skin and fungal infections, especially in immunocompromised patients such as those with AIDS. Ketoconazole is sold commercially as an anti-dandruff shampoo. Ketoconazole is very lipophilic, which leads to accumulation in fatty tissues. The less toxic and more effective triazole compounds fluconazole and itraconazole have largely replaced ketoconazole for internal use. Ketoconazole is best absorbed at highly acidic levels, so antacids or other causes of decreased stomach acid levels will lower the drugs absorption when taken orally. -Wikipedia [HMDB] G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AB - Imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C254 - Anti-Infective Agent Ketoconazole (R-41400) is an imidazole anti-fungal agent, a CYP3A4 and CYP24A1 inhibitor.

   

3-Caffeoyl-4-feruloylquinic acid

3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


3-Caffeoyl-4-feruloylquinic acid is found in citrus. 3-Caffeoyl-4-feruloylquinic acid is a constituent of the peel Citrus reticulata (mandarin). Constituent of the peel Citrus reticulata (mandarin). 3-Caffeoyl-4-feruloylquinic acid is found in citrus.

   

4-O-Caffeoyl-3-O-feruloylquinic acid

4-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


4-O-Caffeoyl-3-O-feruloylquinic acid is found in coffee and coffee products. 4-O-Caffeoyl-3-O-feruloylquinic acid is a constituent of coffee beans. Constituent of coffee beans. 3-Feruloyl-4-caffeoylquinic acid is found in coffee and coffee products.

   

Formononetin 7-(6'-methylmalonylglucoside)

1-Methyl 3-(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl propanedioic acid

C26H26O12 (530.1424)


Formononetin 7-(6-methylmalonylglucoside) is found in herbs and spices. Formononetin 7-(6-methylmalonylglucoside) is isolated from leaves of Trifolium pratense (red clover

   

1-Caffeoyl-5-feruloylquinic acid

(1R,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


1-Caffeoyl-5-feruloylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

1-Feruloyl-5-caffeoylquinic acid

(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


1-Feruloyl-5-caffeoylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

(2S,4S)-Ketoconazole

1-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one

C26H28Cl2N4O4 (530.1488)


   

Luteolin 3-methyl ether 7-(6-crotonylglucoside)

Luteolin 3-methyl ether 7-(6-crotonylglucoside)

C26H26O12 (530.1424)


   

8)-epiafzelechin

Guibourtinidol-(4alpha-

C30H26O9 (530.1577)


   

6)-fisetinidol

Guibourtinidol-(4alpha-

C30H26O9 (530.1577)


   

Macranthoin G

(-)-3,5-Dicaffeoylquinic methyl ester

C26H26O12 (530.1424)


A methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity.

   

8)-fisetinidol

Guibourtinidol-(4alpha-

C30H26O9 (530.1577)


   

3,4-Dicaffeoyl quinic acid

(-)-3,4-Dicaffeoyl quinic acid

C26H26O12 (530.1424)


   

Goniolactone F

(+)-Goniolactone F

C30H26O9 (530.1577)


   

8)-epicatechin

Cassiaflavan-(4alpha-

C30H26O9 (530.1577)


   

6)-ent-epifisetinidol

Guibourtinidol-(4alpha-

C30H26O9 (530.1577)


   

Luteolin 7-glucoside-4-(Z-2-methyl-2-butenoate)

7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-[3-hydroxy-4-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]phenyl]-4H-1-benzopyran-4-one

C26H26O12 (530.1424)


   

MCULE-8382253991

MCULE-8382253991

C26H26O12 (530.1424)


   

Guibourtinidol-(4beta->8)-epiafzelechin

Guibourtinidol-(4beta->8)-epiafzelechin

C30H26O9 (530.1577)


   

3-[bis(3,4-methylenedioxyphenyl)methyl]-4-(beta-D-glucopyranosyloxy-methyl)-2(5H)-furanone|juspurpurin

3-[bis(3,4-methylenedioxyphenyl)methyl]-4-(beta-D-glucopyranosyloxy-methyl)-2(5H)-furanone|juspurpurin

C26H26O12 (530.1424)


   

Guibourtinidol-(4alpha->6)-ent-epifisetinidol

Guibourtinidol-(4alpha->6)-ent-epifisetinidol

C30H26O9 (530.1577)


   

rakanmakilactone G-7beta-O-beta-D-apiofuranoside

rakanmakilactone G-7beta-O-beta-D-apiofuranoside

C24H31ClO11 (530.1555)


   

seragakinone A

seragakinone A

C26H26O12 (530.1424)


   

5,2,6-trihydroxy-7-methoxyflavone-2-O-(6-O-trans-crotonyl-beta-D-glucopyranoside)

5,2,6-trihydroxy-7-methoxyflavone-2-O-(6-O-trans-crotonyl-beta-D-glucopyranoside)

C26H26O12 (530.1424)


   

Leucophenicin hexaacetate

Leucophenicin hexaacetate

C26H26O12 (530.1424)


   

1,3-di-O-caffeoyl quinic acid methyl ester

1,3-di-O-caffeoyl quinic acid methyl ester

C26H26O12 (530.1424)


   

matsudone A

matsudone A

C26H26O12 (530.1424)


A glycosyloxyflavone that is 5,3,4-trihydroxyflavone substituted by a beta-D-glucopyranosyloxy group at position 3 and a 2,2-dimethylpyrano ring fused across positions 7 and 8. Isolated from the leaves of Salix matsudana, it acts as a cyclooxygenase 2 inhibitor.

   

Guibourtinidol-(4alpha->6)-fisetinidol

Guibourtinidol-(4alpha->6)-fisetinidol

C30H26O9 (530.1577)


   

flavumchalcone

flavumchalcone

C30H26O9 (530.1577)


   

Guibourtinidol-(4alpha->8)-fisetinidol

Guibourtinidol-(4alpha->8)-fisetinidol

C30H26O9 (530.1577)


   

4,5-Di-O-caffeoylquinic acid methyl ester

4,5-Di-O-caffeoylquinic acid methyl ester

C26H26O12 (530.1424)


   

3,4-Di-O-caffeoylquinic acid methyl ester

methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate is a natural product found in Vitex quinata, Petasites japonicus, and other organisms with data available.

   

2-O-acetyl-6-O-benzoylzeylenol

2-O-acetyl-6-O-benzoylzeylenol

C30H26O9 (530.1577)


   

cholistaquinate

cholistaquinate

C26H26O12 (530.1424)


   

(2S,3R,4R)-3,4?,7-trihydroxyflavon-(4beta?8)-epicatechin

(2S,3R,4R)-3,4?,7-trihydroxyflavon-(4beta?8)-epicatechin

C30H26O9 (530.1577)


   

quercetin-3-O-(2-O-tigloyl)-alpha-L-rhamnopyranoside

quercetin-3-O-(2-O-tigloyl)-alpha-L-rhamnopyranoside

C26H26O12 (530.1424)


   

quercetin-3-O-(3-O-tigloyl)-alpha-L-rhamnopyranoside

quercetin-3-O-(3-O-tigloyl)-alpha-L-rhamnopyranoside

C26H26O12 (530.1424)


   

gnetoflavanol A

gnetoflavanol A

C30H26O9 (530.1577)


   

Cassiaflavan-(4alpha->8)-epicatechin

Cassiaflavan-(4alpha->8)-epicatechin

C30H26O9 (530.1577)


   

formononetin 7-O-glucoside-6-O-malonate

formononetin 7-O-glucoside-6-O-malonate

C26H26O12 (530.1424)


   

5,3-dihydroxy-4-O-angeloxyflavone-7-O-beta-D-glucopyranoside|5,3-dihydroxy-4-O-angeloylflavone-7-O-beta-D-glucopyranoside|luteolin-7-O-beta-D-glucopyranoside

5,3-dihydroxy-4-O-angeloxyflavone-7-O-beta-D-glucopyranoside|5,3-dihydroxy-4-O-angeloylflavone-7-O-beta-D-glucopyranoside|luteolin-7-O-beta-D-glucopyranoside

C26H26O12 (530.1424)


   

Thermopsoside, crotonoyl

Thermopsoside, crotonoyl

C26H26O12 (530.1424)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.154 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.150

   

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

NCGC00385740-01!(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

Cys Asp Met Tyr

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Cys Asp Tyr Met

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Cys Met Asp Tyr

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Cys Met Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C21H30N4O8S2 (530.1505)


   

Cys Tyr Asp Met

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Cys Tyr Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C21H30N4O8S2 (530.1505)


   

Asp Cys Met Tyr

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Asp Cys Tyr Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C21H30N4O8S2 (530.1505)


   

Asp Met Cys Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Asp Met Tyr Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Asp Tyr Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C21H30N4O8S2 (530.1505)


   

Asp Tyr Met Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Met Cys Asp Tyr

(3S)-3-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Met Cys Tyr Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C21H30N4O8S2 (530.1505)


   

Met Asp Cys Tyr

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Met Asp Tyr Cys

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Met Tyr Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C21H30N4O8S2 (530.1505)


   

Met Tyr Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Tyr Cys Asp Met

(3S)-3-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Tyr Cys Met Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C21H30N4O8S2 (530.1505)


   

Tyr Asp Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C21H30N4O8S2 (530.1505)


   

Tyr Asp Met Cys

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Tyr Met Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]butanedioic acid

C21H30N4O8S2 (530.1505)


   

Tyr Met Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C21H30N4O8S2 (530.1505)


   

Formononetin 7-(6''-methylmalonylglucoside)

1-methyl 3-(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl propanedioate

C26H26O12 (530.1424)


   

4-O-Caffeoyl-3-O-feruloylquinic acid

4-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

3-Caffeoyl-4-feruloylquinic acid

3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

1-Caffeoyl-5-feruloylquinic acid

(1R,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


A quinic acid that is (-)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively.

   

1-Feruloyl-5-caffeoylquinic acid

(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

Hypocrellin C

Hypocrellin C

C30H26O9 (530.1577)


   

sodium 5-tert-butyl-2-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl]amino]benzenesulphonate

sodium 5-tert-butyl-2-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl]amino]benzenesulphonate

C27H27N2NaO6S (530.1487)


   
   

luteolin 7-O-beta-D-glucoside-4-(Z-2-methyl-2-butenoate)

luteolin 7-O-beta-D-glucoside-4-(Z-2-methyl-2-butenoate)

C26H26O12 (530.1424)


An enoate ester obtained by the formal condensation of the 4-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid.

   
   

7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5-phosphate

7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5-phosphate

C19H27N6O10P (530.1526)


   

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

Formononetin 7-(6-methylmalonylglucoside)

Formononetin 7-(6-methylmalonylglucoside)

C26H26O12 (530.1424)


   

19-acetyl-13,21-dihydroxy-7,9,14,20-tetramethoxy-17-methylhexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(23),2(11),3,7,9,14,17,19,21-nonaene-5,12-dione

19-acetyl-13,21-dihydroxy-7,9,14,20-tetramethoxy-17-methylhexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(23),2(11),3,7,9,14,17,19,21-nonaene-5,12-dione

C30H26O9 (530.1577)


   

(7r,8r)-9-(2,6-dihydroxyphenyl)-8-[(2r)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one

(7r,8r)-9-(2,6-dihydroxyphenyl)-8-[(2r)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one

C30H26O9 (530.1577)


   

8-[3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

8-[3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

methyl (3r,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

methyl (3r,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

(2r,3s)-6-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3s)-6-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

9-(2,6-dihydroxyphenyl)-8-[4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one

9-(2,6-dihydroxyphenyl)-8-[4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one

C30H26O9 (530.1577)


   

(1s,3r,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1s,3r,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

(1r,4s,5r,6s)-6-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-5-hydroxycyclohex-2-en-1-yl benzoate

(1r,4s,5r,6s)-6-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-5-hydroxycyclohex-2-en-1-yl benzoate

C30H26O9 (530.1577)


   

(2r,3r)-8-[(2r,3s,4r)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3r)-8-[(2r,3s,4r)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2s,4r)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2s,4r)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

(2r,3r)-2-(3,4-dihydroxyphenyl)-6-[(2s,4s)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3r)-2-(3,4-dihydroxyphenyl)-6-[(2s,4s)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

4,5-di-O-caffeoylquinic acid methyl ester

4,5-di-O-caffeoyl quinic acid methyl ester

C26H26O12 (530.1424)


{"Ingredient_id": "HBIN010034","Ingredient_name": "4,5-di-O-caffeoylquinic acid methyl ester","Alias": "4,5-di-O-caffeoyl quinic acid methyl ester","Ingredient_formula": "C26H26O12","Ingredient_Smile": "COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "530.5 g/mol","OB_score": "1.727368517","CAS_id": "NA","SymMap_id": "SMIT05211","TCMID_id": "42168","TCMSP_id": "MOL003077","TCM_ID_id": "NA","PubChem_id": "10052718","DrugBank_id": "NA"}

   

4-dicaffeoylquinic acid methyl ester

NA

C26H26O12 (530.1424)


{"Ingredient_id": "HBIN010326","Ingredient_name": "4-dicaffeoylquinic acid methyl ester","Alias": "NA","Ingredient_formula": "C26H26O12","Ingredient_Smile": "COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37454","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-[(2s,3r,4s,5s)-4-(2,4-dihydroxybenzoyl)-3-[(r)-hydroxy(4-hydroxyphenyl)methyl]-5-(4-hydroxyphenyl)oxolan-2-yl]benzene-1,3-diol

4-[(2s,3r,4s,5s)-4-(2,4-dihydroxybenzoyl)-3-[(r)-hydroxy(4-hydroxyphenyl)methyl]-5-(4-hydroxyphenyl)oxolan-2-yl]benzene-1,3-diol

C30H26O9 (530.1577)


   

methyl 3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,2-dihydroxycyclohexane-1-carboxylate

methyl 3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,2-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

3-[(7-{[(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-3-(4-methoxyphenyl)-4-oxochromen-2-yl)oxy]-3-oxopropanoic acid

3-[(7-{[(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-3-(4-methoxyphenyl)-4-oxochromen-2-yl)oxy]-3-oxopropanoic acid

C26H26O12 (530.1424)


   

methyl 3,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

methyl 3,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

(1s,8r,9s,12r,13r,14r,15r,16s)-15-chloro-8-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-13,14-dihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

(1s,8r,9s,12r,13r,14r,15r,16s)-15-chloro-8-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-13,14-dihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

C24H31ClO11 (530.1555)


   

(2r,3s)-8-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3s)-8-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol

6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol

C30H26O9 (530.1577)


   

(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2s,4s)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2s,4s)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

methyl 1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate

methyl 1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

(1s,3s,4r,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1s,3s,4r,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl (2e)-but-2-enoate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl (2e)-but-2-enoate

C26H26O12 (530.1424)


   

(2r,3r)-8-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3r)-8-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

methyl 3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

methyl 3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

methyl (1s,3s,4s,5r)-1,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate

methyl (1s,3s,4s,5r)-1,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

methyl (1r,2s,3s,4r)-2,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

methyl (1r,2s,3s,4r)-2,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

methyl (1r,2s,3r,4r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,2-dihydroxycyclohexane-1-carboxylate

methyl (1r,2s,3r,4r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,2-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   
   

(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl but-2-enoate

(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl but-2-enoate

C26H26O12 (530.1424)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate

C26H26O12 (530.1424)


   

(7s,8s)-9-(2,6-dihydroxyphenyl)-8-[(2s)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one

(7s,8s)-9-(2,6-dihydroxyphenyl)-8-[(2s)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one

C30H26O9 (530.1577)


   

15-chloro-8-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-13,14-dihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

15-chloro-8-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-13,14-dihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione

C24H31ClO11 (530.1555)


   

4-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,7-diol

4-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,7-diol

C30H26O9 (530.1577)


   

2-(3,4-dihydroxyphenyl)-8-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

2-(3,4-dihydroxyphenyl)-8-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

(1s,3s,4r,5s)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1s,3s,4r,5s)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

2-(3,4-dihydroxyphenyl)-6-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

2-(3,4-dihydroxyphenyl)-6-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

6-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-5-hydroxycyclohex-2-en-1-yl benzoate

6-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-5-hydroxycyclohex-2-en-1-yl benzoate

C30H26O9 (530.1577)


   

2-{[(5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl)oxy](phenyl)methyl}-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate

2-{[(5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl)oxy](phenyl)methyl}-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate

C30H26O9 (530.1577)


   

(5r,6r,11s,12r)-6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol

(5r,6r,11s,12r)-6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol

C30H26O9 (530.1577)


   

methyl 2,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

methyl 2,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

3-[bis(2h-1,3-benzodioxol-5-yl)methyl]-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one

3-[bis(2h-1,3-benzodioxol-5-yl)methyl]-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one

C26H26O12 (530.1424)


   

(2r,3r,3ar,6ar)-2-[(s)-{[(2s)-5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate

(2r,3r,3ar,6ar)-2-[(s)-{[(2s)-5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate

C30H26O9 (530.1577)


   

3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

(11s,12r)-6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol

(11s,12r)-6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol

C30H26O9 (530.1577)


   

methyl 2,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,3-dihydroxycyclohexane-1-carboxylate

methyl 2,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,3-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

(2r,3s,4r)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,7-diol

(2r,3s,4r)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,7-diol

C30H26O9 (530.1577)


   

methyl (1s,3r,4s,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

methyl (1s,3r,4s,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

(2r,3s)-8-[(2r,3s,4r)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3s)-8-[(2r,3s,4r)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

methyl (1r,3r,4r,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

methyl (1r,3r,4r,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

methyl (1s,3r,4r,5r)-1,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate

methyl (1s,3r,4r,5r)-1,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

(2r,3s,3as,6ar)-2-[(s)-{[(2s)-5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate

(2r,3s,3as,6ar)-2-[(s)-{[(2s)-5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate

C30H26O9 (530.1577)


   

2-hydroxy-4-(5-hydroxy-4-oxo-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenyl (2z)-2-methylbut-2-enoate

2-hydroxy-4-(5-hydroxy-4-oxo-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenyl (2z)-2-methylbut-2-enoate

C26H26O12 (530.1424)


   

(1s,3r,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1s,3r,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

(1s,3s,4r,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

(1s,3s,4r,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C26H26O12 (530.1424)


   

2-hydroxy-4-(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenyl 2-methylbut-2-enoate

2-hydroxy-4-(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-yl)phenyl 2-methylbut-2-enoate

C26H26O12 (530.1424)


   

3-[(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-3-(4-methoxyphenyl)-4-oxochromen-2-yl)oxy]-3-oxopropanoic acid

3-[(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-3-(4-methoxyphenyl)-4-oxochromen-2-yl)oxy]-3-oxopropanoic acid

C26H26O12 (530.1424)


   

methyl (1s,3r,4r,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

methyl (1s,3r,4r,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

methyl (1r,2s,3s,4r)-2,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,3-dihydroxycyclohexane-1-carboxylate

methyl (1r,2s,3s,4r)-2,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,3-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2r,4r)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2r,4r)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

{3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl}methyl but-2-enoate

{3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl}methyl but-2-enoate

C26H26O12 (530.1424)


   

6-[3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

6-[3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C30H26O9 (530.1577)


   

4-[4-(2,4-dihydroxybenzoyl)-3-[hydroxy(4-hydroxyphenyl)methyl]-5-(4-hydroxyphenyl)oxolan-2-yl]benzene-1,3-diol

4-[4-(2,4-dihydroxybenzoyl)-3-[hydroxy(4-hydroxyphenyl)methyl]-5-(4-hydroxyphenyl)oxolan-2-yl]benzene-1,3-diol

C30H26O9 (530.1577)


   

methyl (1r,3r,4s,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

methyl (1r,3r,4s,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

methyl 3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

methyl 3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)


   

8-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

8-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one

C25H26N2O11 (530.1537)


   

[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate

[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate

C26H26O12 (530.1424)


   

3-[bis(2h-1,3-benzodioxol-5-yl)methyl]-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one

3-[bis(2h-1,3-benzodioxol-5-yl)methyl]-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one

C26H26O12 (530.1424)


   

methyl (1r,3r,4r,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

methyl (1r,3r,4r,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

C26H26O12 (530.1424)