Exact Mass: 608.2086

6)-beta-D-glucopyranoside

5,7-Dihydroxy-4-methoxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1-

Miconioside A

5,7-Dihydroxy-4-methoxy-6,8-di-C-methylflavanone 7-O-alpha-L-arabinopyranosyl- (1->6) -beta-D-glucopyranoside

4)-beta-D-glucopyranoside]

Naringenin 5,7-dimethylether 4-O-[alpha-L-rhamnopyranosyl(1-

2-(4-hydroxyphenyl)ethyl O-alpha-L-rhamnopyranosyl(1->3)-(6-O-caffeoyl)-beta-D-glucopyranoside|kankanoside G

3-alpha-L-rhamnopyranoside|Syringalide 3-??-L-rhamnopyranoside|syringalide A 3-alpha-L-rhamnopyranoside|syringalide A 3-alpha-rhamnopyranoside|syringalide A 3-O-alpha-L-rhamnopyranoside

lipedoside A-II

isosyringalide 3-alpha-L-rhamnopyranoside|Isosyringalide 3-??-L-rhamnopyranoside|lipedoside A-I

Clerodendronoside

(5, 7)

Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside

5,7-Dihydroxy-4-methoxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

C29H36O14

3-benzoyl-5,5,7,7,8,8-hexamethoxy-2-phenyl-spiro[2H-1-benzopyran-2,4-[4H-1]benzopyran]|welwitschin E

C36H32O9 (608.2046)

2-(4-hydroxyphenyl)ethyl beta-D-glucopyranosyl-(1-3)-4-O-p-coumaroyl-beta-D-glucopyranoside

3,9-dihydroeucomin-7-rutinoside|7-O-[alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-5-hydroxy-3-(4-methoxybenzyl)-chroman-4-one

C22H40O19

C22H40O19 (608.2164)

Naringenin 5,7-dimethylether 4-O-[alpha-L-rhamnopyranosyl(1->4)-beta-D-glucopyranoside]

Cys Asp Trp Trp

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Cys Trp Asp Trp

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Cys Trp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

Asp Cys Trp Trp

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

Asp Trp Cys Trp

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Asp Trp Trp Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Trp Cys Asp Trp

(3S)-3-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Trp Cys Trp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

Trp Asp Cys Trp

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

Trp Asp Trp Cys

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Trp Trp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]butanedioic acid

Trp Trp Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

Tetrabutylammonium bis(4-methyl-1,2-benzenedithiolato)nickelate

C30H48NNiS4 (608.2023)

4-O-phosphohygromycin

[(2R)-2-[(3S,3aS,4S,4R,5S,6R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azaniumyl-2,6-dihydroxy-5-(methylazaniumyl)cyclohexyl]oxy-3,4,5,7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,6-oxane]-2-yl]-2-azaniumylethyl] phosphate

[(2R)-2-[(3S,3aS,4S,4R,5S,6R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azaniumyl-2,6-dihydroxy-5-(methylazaniumyl)cyclohexyl]oxy-3,4,5,7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,6-oxane]-2-yl]-2-azaniumylethyl] phosphate

N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-amino-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-amino-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C23H36N4O15 (608.2177)

4-O-phosphohygromycin B(1+)

The conjugate acid of 4-O-phosphohygromycin B having an anionic phosphate group and all three amino groups protonated; major species at pH 7.3.

7-O-phosphohygromycin B(1+)

Conjugate acid of 7-O-phosphohygromycin B arising from protonation of the three amino groups and deprotonation of the phosphate OH groups; major species at pH 7.3.

N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

Iron methylchlorin

C33H36FeN4O4-2 (608.2086)

N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

[(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Iron methylchlorin

C33H36FeN4O4 (608.2086)

A metallochlorin that is the iron(II) complex of 7,8-dihydroporphyrin which is substituted by methyl groups at positions 3, 7, 7, 8, 12, 13, and 17, and by carboxyethyl groups at positions 2 and 18.

ST 23:6;O8;GlcA

(2s)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

(2r,3r,4r,5r,6r)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

5-hydroxy-3-[(4-methoxyphenyl)methyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one

(1s,8r,9s,17r)-8,17-dihydroxy-13-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-[2-(4-methoxyphenyl)ethyl]-6,10-dioxatetracyclo[7.7.1.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),4,11,13,15-pentaen-3-one

C36H32O9 (608.2046)

7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol

{"Ingredient_id": "HBIN013382","Ingredient_name": "7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol","Alias": "NA","Ingredient_formula": "C29H36O14","Ingredient_Smile": "CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30619","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

7-o-β-d-apiofuranosyl-(1→6)-β-d-glucopyra-nosylmatteucinol

{"Ingredient_id": "HBIN013384","Ingredient_name": "7-o-\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyra-nosylmatteucinol","Alias": "NA","Ingredient_formula": "C29H36O14","Ingredient_Smile": "CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1512","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

2-({[3-(5-{[5-(3-carbamimidamidopropyl)-6-hydroxy-3-oxo-4,5-dihydropyrazin-2-ylidene]methyl}-2-hydroxyphenoxy)-1-carboxypropyl]-c-hydroxycarbonimidoyl}methyl)-2-hydroxybutanedioic acid

C25H32N6O12 (608.2078)

[(2r,3r,4s,5r,6r)-3,5-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

{3,5-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

(1s,10r)-10,13-bis[(2s)-butan-2-yl]-6-[2,3-dihydroxy-4-(4-hydroxyphenyl)-5,6-dioxocyclohexa-1,3-dien-1-yl]-14-hydroxy-12-methoxy-11-oxo-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate

(1s,10r)-10,13-bis[(2s)-butan-2-yl]-6-[2,3-dihydroxy-4-(4-hydroxyphenyl)-5,6-dioxocyclohexa-1,3-dien-1-yl]-14-hydroxy-12-methoxy-11-oxo-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate

C31H32N2O11 (608.2006)

(2s)-7-{[(2r,3s,4r,5r,6s)-6-({[(2s,3s,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

(2s)-7-{[(2r,3s,4r,5r,6s)-6-({[(2s,3s,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

(2s)-2-(4-{[(2s,3s,4s,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-5,7-dimethoxy-2,3-dihydro-1-benzopyran-4-one

[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3r,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(2r)-3-benzoyl-5,5',7,7',8,8'-hexamethoxy-2'-phenyl-2,4'-spirobi[chromene]

C36H32O9 (608.2046)

[(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

[(3r,4s,5s)-3,4-dihydroxy-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(10r)-10,13-bis[(2s)-butan-2-yl]-6-[2,3-dihydroxy-4-(4-hydroxyphenyl)-5,6-dioxocyclohexa-1,3-dien-1-yl]-14-hydroxy-12-methoxy-11-oxo-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate

(10r)-10,13-bis[(2s)-butan-2-yl]-6-[2,3-dihydroxy-4-(4-hydroxyphenyl)-5,6-dioxocyclohexa-1,3-dien-1-yl]-14-hydroxy-12-methoxy-11-oxo-2,9-dioxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradeca-3,5,7,13-tetraen-1-ium-1-olate

C31H32N2O11 (608.2006)

(2s)-7-{[(2s,3s,4s,5s,6r)-6-({[(2r,3s,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

(2s)-7-{[(2s,3s,4s,5s,6r)-6-({[(2r,3s,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

(2s)-7-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

(2s)-7-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

(2r,3r,4r,5r,6r)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

2-[(6-hydroxy-1,5,7-trimethoxyphenanthren-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

(3s)-5-hydroxy-3-[(4-methoxyphenyl)methyl]-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one