Exact Mass: 642.2357610000001

Haemocorin

C32H34O14 (642.1948464)

Cannabisin E

C36H38N2O9 (642.2577178)

(E,E)-4,4'-Bi(N-4-hydroxycinnamoylserotonin)

C38H34N4O6 (642.2478224000001)

(E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin) is found in fats and oils. (E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin) is isolated from safflower (Carthamus tinctorius) oil cake. Isolated from safflower (Carthamus tinctorius) oil cake. (E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin) is found in fats and oils and herbs and spices.

Xylogranatin B

C34H42O12 (642.2676132)

(3R)-7,2,5-Trihydroxy-3,4-dimethoxyisoflavan 2,5-O-diglucoside

C29H38O16 (642.2159748)

Triphyllin B

C29H38O16 (642.2159748)

xylogranatin A

C34H42O12 (642.2676132)

NK 30424AS1

C30H46N2O11S (642.2822166)

Leucocyanidin 4,7-dimethylether 3-O-rutinoside

C29H38O16 (642.2159748)

juncin H

C31H43ClO12 (642.2442908)

FT-0775539

C38H42O9 (642.2828682)

euonydin A-4

C32H34O14 (642.1948464)

Briarein A

C30H39ClO13 (642.2079074000001)

(1R,2S,3S,4S,5S,6R,7R,9S,10R)-1,2,3,6,9,12,15-heptaacetoxy-4-hydroxy-8-oxodihydro-beta-agarofuran

C29H38O16 (642.2159748)

1-Acetoxy-8-benzoyloxy-9,14-di(nicotinoyloxy)dihydro-alpha-agarofuran

C36H38N2O9 (642.2577178)

Rohrtukin

C34H42O12 (642.2676132)

schizanrin I

C36H34O11 (642.2101014)

C33H38O13

C33H38O13 (642.2312297999999)

C29H38O16

C29H38O16 (642.2159748)

chloropupukeananin

C33H35ClO11 (642.186779)

4-(1,2-dihydroxyethyl)-2-methoxyphenyl 1-O-beta-D-[5-O-(3,4-dimethoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside

C29H38O16 (642.2159748)

CHEMBL399153

C36H34O11 (642.2101014)

cannabisin K

C36H38N2O9 (642.2577178)

3-Methoxy-4-chloro-5-(2-(2,5-dihydroxy-3-(3-methyl-2-butenyl)-3,4-epoxycyclohexane-1-ylidene)ethenyl)-5,7-dimethyl-5-hydroxy-4,8-dioxospiro[bicyclo[2.2.2]octane-7,2-[4H][1,3]benzodioxin]-2-ene-1-carboxylic acid methyl ester

C33H35ClO11 (642.186779)

trichinenlide N

C34H42O12 (642.2676132)

5,7,4-trihydroxy-2-nonyl-3-carboxaldehyde-[2,3:2,3]-3-O-beta-D-galactopyranosyl furanoflavonoid|houttuynoid A

C33H38O13 (642.2312297999999)

chloropestolide E

C33H35ClO11 (642.186779)

5,7,4-trihydroxy-3-decanonyl-[1,2:2,3]-3-O-beta-D-galactopyranosyl furanoflavonoid|houttuynoid C

C33H38O13 (642.2312297999999)

C36H38N2O9

C36H38N2O9 (642.2577178)

6-O-acetylswietemahonin

C34H42O12 (642.2676132)

Filixsaeure-PBP

C34H42O12 (642.2676132)

J3.530.115A

C33H42N2O11 (642.2788462)

(2,3-trans)-3-[(2,7-dihydroxy-4-methoxyphenanthren-1-yl)methyl]-2-(4-hydroxy-3-methoxyphenyl)-10-methoxy-2,3,4,5-tetrahydrophenanthro[2,1-b]furan-7-ol

C40H34O8 (642.2253564)

(1S,1S,3aR,3aR,5S,6S,14bS,14bS)-1,1,4,5,5,6,8,8,9,9,14b,14b-dodecahydro-1,1-dihydroxy-2,2-dimethoxy-4H,6H-5,6-bicyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]-benzazepin-6-one|cephalancetine C

C36H38N2O9 (642.2577178)

19,20-dehydroedulirin A

C36H38N2O9 (642.2577178)

Yadanzioside F

C29H38O16 (642.2159748)

CID 72955 is a natural product found in Brucea javanica with data available.

juncenolide J|Juncin F|rel-(1R,2R,3aR,4S,8S,8aS,9S,11R,12aS,13S,13aR)-8,9,13-tris(acetyloxy)-4-chlorotetradecahydro-13a-hydroxy-1,8a-dimethyl-5-methylene-2-oxospiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2H),2-oxiran]-11-yl 3-methylbutanoate

C31H43ClO12 (642.2442908)

6-acetoxy-3beta-hydroxy-7-oxo-14beta,15beta-epoxymeliac-1,5-diene-3-O-beta-D-glucuronopyranoside

C34H42O12 (642.2676132)

Cathedulin E(2)

C36H38N2O9 (642.2577178)

1beta-acetoxy-9alpha-benzoyloxy-2beta,6alpha-dinicotinoyloxy-beta-dihydroagarofuran|heterophylline

C36H38N2O9 (642.2577178)

5-{carboxy[4-(beta-D-glucopyranosyloxy)-3-hydroxy-5-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-(3-methylbut-2-en-1-yl)phenyl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid|sabphenoside D

C30H42O15 (642.2523582)

Yadanzioside I

C29H38O16 (642.2159748)

Euphorbia Factor L2

C38H42O9 (642.2828682)

Euphorbia Factor L2 is a natural product found in Euphorbia lathyris with data available. Euphorbia factor L2, a lathyrane diterpenoid isolated from caper euphorbia seed (the seeds of Euphorbia lathyris L.), has been traditionally applied to treat cancer. Euphorbia factor L2 shows potent cytotoxicity and induces apoptosis via a mitochondrial pathway[1]. Euphorbia factor L2, a lathyrane diterpenoid isolated from caper euphorbia seed (the seeds of Euphorbia lathyris L.), has been traditionally applied to treat cancer. Euphorbia factor L2 shows potent cytotoxicity and induces apoptosis via a mitochondrial pathway[1].

4-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid

C32H34O14 (642.1948464)

AVE6324

C31H35ClN4O7S (642.191487)

CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4359; ORIGINAL_PRECURSOR_SCAN_NO 4358 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4389; ORIGINAL_PRECURSOR_SCAN_NO 4386 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4382; ORIGINAL_PRECURSOR_SCAN_NO 4380 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4381; ORIGINAL_PRECURSOR_SCAN_NO 4379 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4387; ORIGINAL_PRECURSOR_SCAN_NO 4386 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4387; ORIGINAL_PRECURSOR_SCAN_NO 4384 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8993; ORIGINAL_PRECURSOR_SCAN_NO 8991 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8995; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9013; ORIGINAL_PRECURSOR_SCAN_NO 9012 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9032; ORIGINAL_PRECURSOR_SCAN_NO 9031 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9027; ORIGINAL_PRECURSOR_SCAN_NO 9025 CONFIDENCE standard compound; INTERNAL_ID 1219; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9037; ORIGINAL_PRECURSOR_SCAN_NO 9034

Asp His Trp Trp

C32H34N8O7 (642.2550334)

Asp Trp His Trp

C32H34N8O7 (642.2550334)

Asp Trp Trp His

C32H34N8O7 (642.2550334)

Phe Gln Trp Tyr

C34H38N6O7 (642.2801838)

Phe Gln Tyr Trp

C34H38N6O7 (642.2801838)

Phe Trp Gln Tyr

C34H38N6O7 (642.2801838)

Phe Trp Tyr Gln

C34H38N6O7 (642.2801838)

Phe Tyr Gln Trp

C34H38N6O7 (642.2801838)

Phe Tyr Trp Gln

C34H38N6O7 (642.2801838)

His Asp Trp Trp

C32H34N8O7 (642.2550334)

His Trp Asp Trp

C32H34N8O7 (642.2550334)

His Trp Trp Asp

C32H34N8O7 (642.2550334)

Gln Phe Trp Tyr

C34H38N6O7 (642.2801838)

Gln Phe Tyr Trp

C34H38N6O7 (642.2801838)

Gln Trp Phe Tyr

C34H38N6O7 (642.2801838)

Gln Trp Tyr Phe

C34H38N6O7 (642.2801838)

Gln Tyr Phe Trp

C34H38N6O7 (642.2801838)

Gln Tyr Trp Phe

C34H38N6O7 (642.2801838)

Trp Asp His Trp

C32H34N8O7 (642.2550334)

Trp Asp Trp His

C32H34N8O7 (642.2550334)

Trp Phe Gln Tyr

C34H38N6O7 (642.2801838)

Trp Phe Tyr Gln

C34H38N6O7 (642.2801838)

Trp His Asp Trp

C32H34N8O7 (642.2550334)

Trp His Trp Asp

C32H34N8O7 (642.2550334)

Trp Gln Phe Tyr

C34H38N6O7 (642.2801838)

Trp Gln Tyr Phe

C34H38N6O7 (642.2801838)

Trp Trp Asp His

C32H34N8O7 (642.2550334)

Trp Trp His Asp

C32H34N8O7 (642.2550334)

Trp Tyr Phe Gln

C34H38N6O7 (642.2801838)

Trp Tyr Gln Phe

C34H38N6O7 (642.2801838)

Tyr Phe Gln Trp

C34H38N6O7 (642.2801838)

Tyr Phe Trp Gln

C34H38N6O7 (642.2801838)

Tyr Gln Phe Trp

C34H38N6O7 (642.2801838)

Tyr Gln Trp Phe

C34H38N6O7 (642.2801838)

Tyr Trp Phe Gln

C34H38N6O7 (642.2801838)

Tyr Trp Gln Phe

C34H38N6O7 (642.2801838)

(E,E)-4,4-Bi(N-4-hydroxycinnamoylserotonin)

C38H34N4O6 (642.2478224000001)

N-CBZ-GLY-PRO-ARG P-NITRO-ANILIDE ACETATE SALT

C29H38N8O9 (642.2761618)

4-[[2-methoxy-4-[3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one

C36H34N8O4 (642.2702884)

Z-His-Phe(4-NO2)-Phe-OMe

C33H34N6O8 (642.2438004)

Z-Asp-Glu-Val-Asp-chloromethylketone

C27H35ClN4O12 (642.19399)

(R)-1-{(S)-2-[DI(1-NAPHTHYL)PHOSPHINO]FERROCENYL}ETHYLDI-TERT.-BUTYLPHOSPHINE

C40H44FeP2 (642.2267474)

Josiphos SL-J216-2

C35H39P2.C5H5.Fe (642.2267474)

Urea, N-(2-methoxy-5-methylphenyl)-N-(6-((6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-4-quinazolinyl)amino)-2-benzothiazolyl)-

C33H38N8O4S (642.2736588)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

N-Methylmesoporphyrin containing copper

C35H39CuN4O4 (642.2267144)

(1R)-1-[(ethoxycarbonyl)oxy]ethyl 1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-2-{[1-(propan-2-yl)piperidin-4-yl]carbamoyl}-1H-indole-5-carboxylate

C31H35ClN4O7S (642.191487)

12-Ethyl-8-isobutylbacteriochlorophyllide e

C37H38MgN4O5-2 (642.2692558)

[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-(4-aminophenyl)-1-deoxy-5-[1-alpha-D-ribofuranosyl 5-phosphate]-D-ribitol

C25H35N6O12P-2 (642.205048)

71-Dihydroxychlorophyllide a2

C35H30MgN4O7-2 (642.1964889999999)

Superphthalocyanine

C40H22N10 (642.2028812)

Gln-Phe-Trp-Tyr

C34H38N6O7 (642.2801838)

A tetrapeptide composed of L-glutamine, L-phenylalanine, L-tryptophan and L-tyrosine joined in sequence by peptide linkages.

N,N,N-triacetylchitotrionate

C24H40N3O17- (642.2357610000001)

1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

C33H37F3N4O6 (642.2665058)

4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

C33H37F3N4O6 (642.2665058)

4-[3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid

C32H34O14 (642.1948464)

SQDG 22:6

C31H46O12S (642.2709836)

PG 18:4/7:3;O2

C31H47O12P (642.2804991999999)

PG 25:7;O2

C31H47O12P (642.2804991999999)

PI 14:1/4:1;O2

C27H47O15P (642.2652442)

PI 18:2;O2

C27H47O15P (642.2652442)

n-{2-[5,5'-dihydroxy-3'-(2-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}ethyl)-1h,1'h-[4,4'-biindol]-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

C38H34N4O6 (642.2478224000001)

methyl (1s,3s,6r,7s)-7-chloro-4-[(1r,2r,5s,6s)-2-(2,6-dihydroxy-4-methylbenzoyloxy)-5-hydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3-hydroxy-8-methoxy-6-methyl-2-oxotricyclo[4.3.1.0³,⁷]deca-4,8-diene-1-carboxylate

C33H35ClO11 (642.186779)

15-[1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl 2-methylbut-2-enoate

C34H42O12 (642.2676132)

2-{[4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-8-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C29H38O16 (642.2159748)

(8s,9s,10s,11r)-8-(benzoyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate

C36H34O11 (642.2101014)

n-{1-[1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbut-2-enimidic acid

C36H38N2O9 (642.2577178)

(2e)-n-{2-[5,5'-dihydroxy-3'-(2-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}ethyl)-1h,1'h-[4,4'-biindol]-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid

C38H34N4O6 (642.2478224000001)

(2r,4'ar,8'as)-3'-chloro-5'-[(1r,2r,3e,5s,6s)-2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]-5-hydroxy-8'a-(2-hydroxyacetyl)-4'-methoxy-7,7'-dimethyl-4'a,8'-dihydrospiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione

C33H35ClO11 (642.186779)

2,14,16,17-tetrakis(acetyloxy)-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-12-yl acetate

C30H39ClO13 (642.2079074000001)

8-(benzoyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate

C36H34O11 (642.2101014)

methyl 18'-chloro-5,8'-dihydroxy-17'-methoxy-7,13'-dimethyl-5'-(3-methylbut-2-en-1-yl)-4-oxo-2',3',6'-trioxaspiro[1,3-benzodioxine-2,19'-hexacyclo[13.3.1.0¹,¹¹.0⁴,¹⁰.0⁵,⁷.0¹³,¹⁸]nonadecane]-9',11'-diene-15'-carboxylate

C33H35ClO11 (642.186779)

methyl (1r,2s,3r,6r,8s,9s,13s,14r,15r,16s,17s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate

C29H38O16 (642.2159748)

3,4,5-trimethoxyphenyl1-o-β-d-[5-o-(3,4-dimethoxybenzoyl)]-apio-furanosyl-(1→6)-β-d-glucopyranoside

C29H38O16 (642.2159748)

{"Ingredient_id": "HBIN007301","Ingredient_name": "3,4,5-trimethoxyphenyl1-o-\u03b2-d-[5-o-(3,4-dimethoxybenzoyl)]-apio-furanosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C29H38O16","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21909","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5'-hydroxy-isomucronulatol-2',5'-di-o-glucoside

C29H38O16 (642.2159748)

{"Ingredient_id": "HBIN011686","Ingredient_name": "5'-hydroxy-isomucronulatol-2',5'-di-o-glucoside","Alias": "NA","Ingredient_formula": "C29H38O16","Ingredient_Smile": "COC1=C(C=C(C(=C1OC)OC2C(C(C(C(O2)CO)O)O)O)C3CC4=C(C=C(C=C4)O)OC3)OC5C(C(C(C(O5)CO)O)O)O","Ingredient_weight": "642.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15689654","DrugBank_id": "NA"}

(2e)-3-{4-[(1r,2r)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-{[2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}ethoxy]-3-methoxyphenyl}-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid

C36H38N2O9 (642.2577178)

(2s,3r,4s,5r,6r)-2-{5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2,3-dimethoxy-4-{[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C29H38O16 (642.2159748)

[5-({6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate

C29H38O16 (642.2159748)

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

C29H38O16 (642.2159748)

[(1s,2s,3s,4s,5r,6s,7s,9r,10r,12r)-3-acetyl-4,5,7,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-10-yl]methyl acetate

C29H38O16 (642.2159748)

methyl (1r,2s,3r,6r,8s,13s,14r,15r,16s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate

C29H38O16 (642.2159748)

methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s,17s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C29H38O16 (642.2159748)

(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's,16'r)-2',12',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-14'-yl 3-methylbutanoate

C31H43ClO12 (642.2442908)

(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3,4-dimethoxybenzoate

C29H38O16 (642.2159748)

(2s,3r,4s,5s,6r)-2-{[(2s,4r)-4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-8-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C29H38O16 (642.2159748)

2',12',14'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-16'-yl 3-methylbutanoate

C31H43ClO12 (642.2442908)

5-(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-12-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl pyridine-3-carboxylate

C36H38N2O9 (642.2577178)

5-(acetyloxy)-1-(furan-3-yl)-4b,10a-dihydroxy-8-(2-methoxy-2-oxoethyl)-7,7,9,12a-tetramethyl-3-oxo-5,5a,6,8,11,12-hexahydro-1h-2,10-dioxatetraphen-6-yl 2-methylbut-2-enoate

C34H42O12 (642.2676132)

(1s,2r,4s,5r,9r,10r,13r,14s,15s,17s)-15-[(1s)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate

C34H42O12 (642.2676132)

methyl 3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate

C29H38O16 (642.2159748)

n-{1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbut-2-enimidic acid

C36H38N2O9 (642.2577178)

6-[(acetyloxy)[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl 2-methylbut-2-enoate

C34H42O12 (642.2676132)

[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6s)-6-{4-[(1r)-1,2-dihydroxyethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate

C29H38O16 (642.2159748)

n-[(2r)-1-[(1r,12r,13s,14r,15s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-3-methylbut-2-enimidic acid

C36H38N2O9 (642.2577178)

(2r,4'as,8'ar)-3'-chloro-5'-[(1r,2r,3z,5s,6s)-2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]-5-hydroxy-8'a-(2-hydroxyacetyl)-4'-methoxy-7,7'-dimethyl-4'a,8'-dihydrospiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione

C33H35ClO11 (642.186779)

1,11-bis(acetyloxy)-13-(benzoyloxy)-3,6,6,14-tetramethyl-10-methylidene-2-oxotricyclo[10.3.0.0⁵,⁷]pentadec-3-en-9-yl benzoate

C38H42O9 (642.2828682)

(1r,3r,4r,6r)-6-[(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl](acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl (2e)-2-methylbut-2-enoate

C34H42O12 (642.2676132)

(1s,2s,3r,4r,7r,8s,10z,12s,13r,14s,16r,17s)-2,14,16,17-tetrakis(acetyloxy)-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-12-yl acetate

C30H39ClO13 (642.2079074000001)

(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-{[(2r,3s)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl 4-hydroxybenzoate

C33H38O13 (642.2312297999999)

methyl (1's,2r,3's,6'r,7's)-7'-chloro-4'-[(1r,2r,5s,6s)-2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3',5-dihydroxy-8'-methoxy-6',7-dimethyl-4-oxospiro[1,3-benzodioxine-2,2'-tricyclo[4.3.1.0³,⁷]decane]-4',8'-diene-1'-carboxylate

C33H35ClO11 (642.186779)

2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-5-methoxy-9-phenylphenalen-1-one

C32H34O14 (642.1948464)

3'-chloro-5'-[2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]-5-hydroxy-8'a-(2-hydroxyacetyl)-4'-methoxy-7,7'-dimethyl-4'a,8'-dihydrospiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione

C33H35ClO11 (642.186779)

methyl 7-chloro-4-[2-(2,6-dihydroxy-4-methylbenzoyloxy)-5-hydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3-hydroxy-8-methoxy-6-methyl-2-oxotricyclo[4.3.1.0³,⁷]deca-4,8-diene-1-carboxylate

C33H35ClO11 (642.186779)

(2e)-2-[4,5-dihydroxy-2-(2-{[2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}ethyl)phenyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid

C36H38N2O9 (642.2577178)

(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-(c-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C34H38N6O7 (642.2801838)

methyl (1r,2s,3r,6r,13s,15r,17s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C29H38O16 (642.2159748)

methyl (1's,2r,4'r,5's,7's,8's,13'r,15's,17'r,18'r)-18'-chloro-5,8'-dihydroxy-17'-methoxy-7,13'-dimethyl-5'-(3-methylbut-2-en-1-yl)-4-oxo-2',3',6'-trioxaspiro[1,3-benzodioxine-2,19'-hexacyclo[13.3.1.0¹,¹¹.0⁴,¹⁰.0⁵,⁷.0¹³,¹⁸]nonadecane]-9',11'-diene-15'-carboxylate

C33H35ClO11 (642.186779)

2-[(3-butanoyl-2,4,6-trihydroxy-5-{[(6s)-2,4,6-trihydroxy-3,3-dimethyl-5-propanoylcyclohexa-1,4-dien-1-yl]methyl}phenyl)methyl]-3,5-dihydroxy-4,4-dimethyl-6-propanoylcyclohexa-2,5-dien-1-one

C34H42O12 (642.2676132)

(1r,3e,5r,7s,9s,11r,12r,13s,14s)-1,11-bis(acetyloxy)-13-(benzoyloxy)-3,6,6,14-tetramethyl-10-methylidene-2-oxotricyclo[10.3.0.0⁵,⁷]pentadec-3-en-9-yl benzoate

C38H42O9 (642.2828682)

3-{4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-{[2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}ethoxy]-3-methoxyphenyl}-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid

C36H38N2O9 (642.2577178)

(1's,2r,2's,3's,4'r,7'r,8's,12's,13's,14's,16'r)-2',12',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-14'-yl (2r)-2-methylbutanoate

C31H43ClO12 (642.2442908)

[(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl 3,4-dimethoxybenzoate

C29H38O16 (642.2159748)

4,5-dihydroxy-2-{[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl 4-hydroxybenzoate

C33H38O13 (642.2312297999999)

(2s,3as,6r,7as)-n-(4-carbamimidamidobutyl)-1-[(2r,3s)-2-{[(2s)-3-(3,5-dichloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C29H44Cl2N6O6 (642.2699224)

methyl 4'-chloro-8'-{2-[2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]ethenyl}-5-hydroxy-5'-methoxy-7,8'-dimethyl-3',4-dioxospiro[1,3-benzodioxine-2,2'-bicyclo[2.2.2]octan]-5'-ene-1'-carboxylate

C33H35ClO11 (642.186779)

methyl (1's,2r,4'r,8's)-4'-chloro-8'-{2-[(1r,2r,5s,6s)-2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]ethenyl}-5-hydroxy-5'-methoxy-7,8'-dimethyl-3',4-dioxospiro[1,3-benzodioxine-2,2'-bicyclo[2.2.2]octan]-5'-ene-1'-carboxylate

C33H35ClO11 (642.186779)

methyl (1r,2s,3r,6r,8s,9s,13s,14r,15r,16s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-11-ene-17-carboxylate

C29H38O16 (642.2159748)

methyl 3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C29H38O16 (642.2159748)

(2s,3r,4s,5s,6r)-2-{5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2,3-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C29H38O16 (642.2159748)

(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's,16'r)-2',12',14'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-16'-yl 3-methylbutanoate

C31H43ClO12 (642.2442908)

(1s,2r,4s,5r,6r,7s,9r,12r)-5-(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-12-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl pyridine-3-carboxylate

C36H38N2O9 (642.2577178)

2-({3-butanoyl-2,4,6-trihydroxy-5-[(2,4,6-trihydroxy-3,3-dimethyl-5-propanoylcyclohexa-1,4-dien-1-yl)methyl]phenyl}methyl)-3,5-dihydroxy-4,4-dimethyl-6-propanoylcyclohexa-2,5-dien-1-one

C34H42O12 (642.2676132)

2-[5-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl)-2,3-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C29H38O16 (642.2159748)

methyl 7'-chloro-4'-[2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3',5-dihydroxy-8'-methoxy-6',7-dimethyl-4-oxospiro[1,3-benzodioxine-2,2'-tricyclo[4.3.1.0³,⁷]decane]-4',8'-diene-1'-carboxylate

C33H35ClO11 (642.186779)

methyl (1'r,2r,4's,8'r)-4'-chloro-8'-{2-[(1r,2r,5s,6s)-2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]ethenyl}-5-hydroxy-5'-methoxy-7,8'-dimethyl-3',4-dioxospiro[1,3-benzodioxine-2,2'-bicyclo[2.2.2]octan]-5'-ene-1'-carboxylate

C33H35ClO11 (642.186779)

(1s,2s,4s,5r,6r,7s,9r,12r)-6-[(acetyloxy)methyl]-4,5-bis(furan-3-carbonyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-3-carboxylate

C32H34O14 (642.1948464)

methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C29H38O16 (642.2159748)

2',12',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-14'-yl 3-methylbutanoate

C31H43ClO12 (642.2442908)

(2e)-3-{4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-{[2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}ethoxy]-3-methoxyphenyl}-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid

C36H38N2O9 (642.2577178)

6-[(acetyloxy)methyl]-4,5-bis(furan-3-carbonyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-3-carboxylate

C32H34O14 (642.1948464)

methyl (1'r,2s,4's,8's)-4'-chloro-8'-{2-[(1r,2r,5s,6s)-2,5-dihydroxy-1-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]ethenyl}-5-hydroxy-5'-methoxy-7,8'-dimethyl-3',4-dioxospiro[1,3-benzodioxine-2,2'-bicyclo[2.2.2]octan]-5'-ene-1'-carboxylate

C33H35ClO11 (642.186779)

(1r,4br,5r,5ar,6r,8s,10ar,12ar)-5-(acetyloxy)-1-(furan-3-yl)-4b,10a-dihydroxy-8-(2-methoxy-2-oxoethyl)-7,7,9,12a-tetramethyl-3-oxo-5,5a,6,8,11,12-hexahydro-1h-2,10-dioxatetraphen-6-yl (2e)-2-methylbut-2-enoate

C34H42O12 (642.2676132)

(2s,3r,4s,5s,6r)-2-{[(2r,4s)-4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-8-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C29H38O16 (642.2159748)