Exact Mass: 542.194058

nui-inoalide D

C26H35ClO10

umbraculolide D

(3R,4S,3S)-4-(6,7-Dihydroxy-4-methoxyisoflavan-3-yl)-2,7-dihydroxy-4-methoxyisoflavan

Stylatulide

mappiodoside F

MCULE-9151163351

Parvistemin C

Vestitol-(4->5)-vestitol

C32H30O8

erythro-4,7,9,5,9-pentahydroxy-3-methoxy-8-O-4-neolignan-3-O-beta-D-glucopyranoside

gasabiimine

C34H26N2O5 (542.1841626)

(1R,2S,4S,5S,6R,7R,9S,10S)-1,2,6,9,15-pentaacetoxy-4-hydroxy-8-oxodihydro-beta-agarofuran

C25H34O13

C27H30N2O10

NCGC00385982-01_C27H30N2O10_

Asp Asp Phe Phe

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

Asp Phe Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

Asp Phe Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-phenylpropanamido]butanedioic acid

Asp Phe Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

Asp Met Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

Asp Met Met Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

Glu Glu Glu His

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

Glu Glu His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

Glu His Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]pentanedioic acid

Phe Asp Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

Phe Asp Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-phenylpropanamido]butanedioic acid

Phe Asp Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

Phe Phe Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-carboxypropanamido]butanedioic acid

Phe Met Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

Phe Met Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

His Glu Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

Met Asp Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

Met Asp Met Phe

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

Met Phe Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

Met Phe Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

Met Met Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

Met Met Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]butanedioic acid

ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride)

C28H32Cl2N4O3 (542.1851342)

(r)-1-[(s)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine

(s)-1-[(r)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine

C38H26N2O2 (542.1994176000001)

2,6-bis(diphenylamino)anthracene-9,10-dione

(s)-1-[(r)-2-(diphenylphosphino)ferrocenyl]-ethyldi-tert.-butylphosphine

(R)-(-)-[(S)-2-(Diphenylphosphino(ferrocenyl]ethyldi-tert-butylphosphine

5-Iminodoxorubicin

ST 19:3;O7;GlcA

ST 19:4;O8;Hex

1-(1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone; 6-methyloxane-2,3,4,5-tetrol

2-(2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

4,4'-dihydroxy-6,6'-bis[2-(2-methoxyphenyl)ethyl]-3,3'-dimethyl-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone

13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

[4,5,7,12-tetrakis(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl acetate

(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate

(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate

(3r,4s)-3-(2-hydroxy-4-methoxyphenyl)-4-{4-hydroxy-5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2-methoxyphenyl}-3,4-dihydro-2h-1-benzopyran-7-ol

(2s,3r,4s,5s,6r)-2-(2-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-hydroxy-5-(3-hydroxypropyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

(1r,2r,5r,6s,10r,11r,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

3α,3β-carboxyvincoside lactam

{"Ingredient_id": "HBIN007917","Ingredient_name": "3\u03b1,3\u03b2-carboxyvincoside lactam","Alias": "NA","Ingredient_formula": "C27H30N2O10","Ingredient_Smile": "C=CC1C2CC3C4=C(CC(N3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3186","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4-(6',7-dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan; (3r,4s,3''s)-form

{"Ingredient_id": "HBIN010056","Ingredient_name": "4-(6',7-dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan; (3r,4s,3''s)-form","Alias": "NA","Ingredient_formula": "C32H30O8","Ingredient_Smile": "NA","Ingredient_weight": "542.58","OB_score": "NA","CAS_id": "100477-97-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7962","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-(3,4,5-trimethoxybenzoyl)-ajugol

{"Ingredient_id": "HBIN012579","Ingredient_name": "6-o-(3,4,5-trimethoxybenzoyl)-ajugol","Alias": "NA","Ingredient_formula": "C25H34O13","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21878","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate

(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate

(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate

(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

(1r,2r,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1r,2r,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1s,12s,18s,19r,20s)-19-ethenyl-14-oxo-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid

(1s,12s,18s,19r,20s)-19-ethenyl-14-oxo-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid

19-ethenyl-14-oxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid

methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

(1r,2r,5r,6s,10s,11s,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

methyl (4s,5r,6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,21,23,25,27,30(34),32,35-pentadecaene

13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,21,23,25,27,30(34),32,35-pentadecaene

C34H26N2O5 (542.1841626)

2,2',6,6'-tetramethoxy-9h,9'h,10h,10'h-[1,1'-biphenanthrene]-4,4',7,7'-tetrol

(1s,4as,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

(1s,4ar,5r,7s,7ar)-7-hydroxy-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3,4,5-trimethoxybenzoate

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate

[(1s,2s,4s,5r,6s,7s,9r,12r)-4,5,7,12-tetrakis(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl acetate

methyl (6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate

2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate

(2s,3r,4s,5s,6r)-2-(4-{1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

methyl (4s,5r,6s)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethyl-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate