Exact Mass: 416.1736

Phenylethyl primeveroside

2-(2-phenylethoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Phenylethyl primeveroside is found in herbs and spices. Phenylethyl primeveroside is a constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Phenylethyl primeveroside is found in tea and herbs and spices.

10-Hydroxymelleolide

3-Formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1H,2H,2ah,4ah,5H,6H,7H,7ah,7BH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoic acid

10-Hydroxymelleolide is found in mushrooms. 10-Hydroxymelleolide is a metabolite of Armillariella mellea (honey mushroom). Metabolite of Armillariella mellea (honey mushroom). 10-Hydroxymelleolide is found in mushrooms.

Armillaric acid

2-[(2,4-dihydroxy-6-methylphenyl)carbonyloxy]-2a-hydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]indene-3-carboxylic acid

Armillaric acid is found in mushrooms. Armillaric acid is isolated from Armillaria mellea (honey mushroom). Isolated from Armillaria mellea (honey mushroom). Armillaric acid is found in mushrooms.

1-Deoxo-1,10-dehydrosalvinorin A

methyl 9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1H,2H,4H,4aH,5H,6H,6aH,7H,8H,9H,10bH-naphtho[2,1-c]pyran-7-carboxylate

Agelin

(17-Acetyl-6-chloro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl) acetate

Epimagnolin

1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan

Gomisin A

3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-9-ol

Thiafentanil

Methyl 4-(2-methoxy-N-phenylacetamido)-1-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxylic acid

Benzyl alcohol beta-D-rutinoside

(2R,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product.

Icariside D1

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

Icariside d1 is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Icariside d1 is soluble (in water) and a very weakly acidic compound (based on its pKa). Icariside d1 can be found in anise and pomegranate, which makes icariside d1 a potential biomarker for the consumption of these food products.

Schisandrol B

(9R,10R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol

A polyphenol metabolite detected in biological fluids [PhenolExplorer] Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3]. Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3].

Gomisin_A

5,6,7,8-tetrahydro-1,2,3,12-tetramethoxy-6,7-dimethyl-10,11-methylenedioxy-6-dibenzo(a,c)cyclooctenol

Besigomsin is a tannin. Gomisin A is a natural product found in Schisandra sphenanthera and Schisandra chinensis with data available. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3]. Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3].

Epimagnolin B

(3R,3aS,6S,6aS)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

Magnolin

(1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-1H,3H-FURO(3,4-C)FURAN, 1.ALPHA.-(3,4-DIMETHOXYPHENYL)-3A.ALPHA.,4,6,6A.ALPHA.-TETRAHYDRO-4.ALPHA.-(3,4,5-TRIMETHOXYPHENYL)-, (+)-

Magnolin is a natural product found in Geranium platyanthum, Licaria armeniaca, and other organisms with data available. See also: Centipeda minima flowering top (part of). 3-(3,4-Dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is a natural product found in Hernandia nymphaeifolia, Hernandia sonora, and Magnolia biondii with data available. Magnolin, a major component of Magnolia liliiflora, inhibits the Ras/ERKs/RSK2 signaling axis by targeting the active pocket of ERK1 and ERK2 with IC50s of 87 nM and 16.5 nM, respectively. Magnolin, a major component of Magnolia liliiflora, inhibits the Ras/ERKs/RSK2 signaling axis by targeting the active pocket of ERK1 and ERK2 with IC50s of 87 nM and 16.5 nM, respectively. Magnolin, a major component of Magnolia liliiflora, inhibits the Ras/ERKs/RSK2 signaling axis by targeting the active pocket of ERK1 and ERK2 with IC50s of 87 nM and 16.5 nM, respectively.

GomisinO

(8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol

Gomisin O is a natural product found in Schisandra rubriflora, Schisandra bicolor, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin O is isolated from the fruits of Schizandra chinensis[1]. Gomisin O is isolated from the fruits of Schizandra chinensis[1].

Sayaendoside

2)-beta-D-glucopyranoside

2-Phenylethyl O-beta-D-xylopyranosyl-(1-

Leonubiastrin

methyl (1R,4aS,9S,10S)-10-acetoxy-5,9-dihydroxy-7-isopropyl-1,4a-dimethyl-2-oxo-1,2,4a,9,10,10a-hexahydrophenanthrene-1-carboxylate

Phenylethanol + Hex-Pen

Annotation level-3

6)-beta-glucopyranoside

2-Phenylethyl O-alpha-arabinopyranosyl-(1-

Korberin B

6)-beta-D-glucopyranoside

Phenylethyl O-alpha-L-arabinopyranosyl-(1-

A natural product found in Kadsura ananosma.

Crotozambefuran B

(-)-Crotozambefuran B

Rubriflorin B

epimagnolin A

Pyramidatin D

(+)-Hexacyclinol

Pyramidatin E

Virgatusin

Pyramidatin B

APP-FUBINACA

C24H21FN4O2 (416.1648)

2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside

TCMDC-134161

13:4+4O fatty acyl hexoside

Annotation level-3

rel-(7R,8R,7R,8R)-3,4-methylenedioxy-3,4,5,5-tetramethoxy-7,7-epoxylignan

A natural product found in Beilschmiedia tsangii.

NORLOBARIOL

(+)-magnoliadiol

kadsulignan L

(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-10-formyloxy-4b,5,6,7,8,8a,9,10-octahydro-9-hydroxy-2,4b,7-trimethyl-8-methylidenspiro(cyclopropan-1,2(1H)-phenanthren)-1,4(3H)-dion|(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-10-formyloxy-4b,5,6,7,8,8a,9,10-octahydro-9-hydroxy-2,4b,7-trimethyl-8-methylidenspiro-1,4(3H)-dion

(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-10-formyloxy-4b,5,6,7,8,8a,9,10-octahydro-9-hydroxy-2,4b,7-trimethyl-8-methylidenspiro(cyclopropan-1,2(1H)-phenanthren)-1,4(3H)-dion|(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-10-formyloxy-4b,5,6,7,8,8a,9,10-octahydro-9-hydroxy-2,4b,7-trimethyl-8-methylidenspiro-1,4(3H)-dion

4-Acetoxy-isopruteninon-10

Phenylethyl O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside

calopiptin

1-Methylethyl 3,4-dihydro-7,8-dihydroxy-5-methoxy-3,10-dimethyl-4-oxo-4H-naphtho<2.3-b>pyran-3-butanoate

4-(1-Acetoxypropyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-butyryl-2H-1-benzopyran-2-one

(7S,8R,1S,2S,3R)-Delta8-2-acetoxy-3,5-dimethoxy-4-hydroxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan

14alpha-hydroxy-7alpha-acetyl-11,16-diketoapian-8-en-(20,6)-olied|yantuine III

artselaeroside A

syringaresinol

SCHEMBL12676337

rel-(7S,8R,1R,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxy-3,5-dimethoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan

2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-one

Isopropyl ester-3,4-Dihydro-7,8-dihydroxy-5-methoxy-3,10-dimethyl-4-oxo-2H-naphtho[2,3-b]pyran-3-butanoic acid

(7S, 8R, 1S, 2S, 3R)-Delta8-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan

14alpha-hydroxy-7alpha-methylformate-11,16-diketoapian-8-en-(20,6)-olied|yantuine II

2-phenylethyl 6-O-alpha-L-arabinofuranosy-beta-D-glucopyranoside|2-phenylethyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside|2-phenylethyl O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranoside

2-phenylethyl 6-O-alpha-L-arabinofuranosy-beta-D-glucopyranoside|2-phenylethyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside|2-phenylethyl O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranoside

benzyl-O-alpha-L-rhamnopyranosyl (1->6)-beta-D-glucopyranoside

2,3,4-trihydroxy-3-methylbutyl 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]-2-propenoate|evolvoid A

Kadsulignan N

Virolongin F

saururine A

rel-(1R,4S,5R,7S,8R)-Delta2,8-4-acetoxy-4-hydroxy-3,3,5-trimethoxy-6-oxo-8.1,7.5-neolignan

cycloolivin acetonide

kadsuralignan D

Benzyl glycoside-4-O-beta-D-Galactopyranosyl-L-rhamnose

(8R,8R,9S)-9-ab-methoxy-3,4,5-trimethoxy-3,4-methylenedioxy-8.8-9.oO.9-lignan-Delta:1,3,5,1,3,5|alpha-methylclusin

4-(1-acetoxypropyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(2-methyl-1-oxopropyl)-2 h -1-benzopyran-2-one

Schisanlignone B|Schizanlignone B

(5beta,6beta,7beta,8alpha,11alpha)-11-(angeloyloxy)-2-oxo-8-(propanoyloxy)-guaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone C|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxo-4-(1-oxopropoxy)-azuleno[4,5-b]furan-3-yl (2Z)-2-methylbut-2-enoate

(5beta,6beta,7beta,8alpha,11alpha)-11-(angeloyloxy)-2-oxo-8-(propanoyloxy)-guaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone C|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxo-4-(1-oxopropoxy)-azuleno[4,5-b]furan-3-yl (2Z)-2-methylbut-2-enoate

2,6-dimethoxy-4-[(1E)-3,3-dimethoxy-1-propenyl]phenyl beta-D-glucopyranoside

C23H28O7

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diyl diacetate

penicitrinol H

CHEMBL464312

gymnothelignans V

gymnothelignan T

marlignan R

(-)-magnofargesin|magnofargesin

benzyl-O-alpha-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside

marlignan S

2,3-(dimethoxy)secoisolintetralin monoacetate

icariside DC|phenylethyl 1-O-beta-D-apiofuranosyl-(1->4)-beta-D-glucopyranoside

Stenosporic acid

2-hydroxy-4-[(2-hydroxy-4-methoxy-6-propylbenzoyloxy)]-6-pentylbenzoic acid

kadsulignan A

Megaphyllone acetate

3-hydroxy-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propyl beta-D-glucopyranoside

Di-o-methylthujaplicatin methyl ether

schilancifolignan B

9beta-isobutyryloxyhelenalin methacrylate

Benzyl glycoside-alpha-Pyranose-3-O-beta-D-Glucopyranosyl-L-rhamnose

5-acetoxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one

bahia II acetonide

3-(3,4-Dimethoxybenzyl)-4-(3,4,5-trimethoxybenzyl)-dihydrofuran-2(5H)-one

chrysophyllon III-B|Chrysophyllon IIIB

chrysophyllon I-B

Benzyl glycoside-alphaalpha-Pyranose-2-O-beta-D-Glucopyranosyl-L-rhamnose

sphaerophorin

icariside D1

ternatoside B

SchB|schisandrol B|schizandrin B

Imbricaric acid

Phe His Asn

His Phe Asn

Pro Asp Trp

Asn Phe His

Phe Asn His

Trp Pro Asp

Asn His Phe

Pro Trp Asp

C24H29ClO4

His Asn Phe

EpigomisinO

(8S,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol

Epigomisin O is a natural product found in Schisandra propinqua, Schisandra rubriflora, and other organisms with data available. See also: Schisandra chinensis fruit (part of).

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diyldiacetate

[5-acetyloxy-7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate

MLS000859908-01!Cyproterone acetate

C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 2-O-beta-D-xylopyranosyl

NCGC00384762-01_C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 2-O-beta-D-xylopyranosyl-

C19H28O10_2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside

NCGC00384577-01_C19H28O10_2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside

C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl

NCGC00380502-01_C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl-

C19H28O10_Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl ester

NCGC00380542-01_C19H28O10_Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl ester

C23H28O7_1,3-Benzodioxole, 4-methoxy-6-[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]

NCGC00380879-01_C23H28O7_1,3-Benzodioxole, 4-methoxy-6-[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]-

C19H28O10_2-Phenylethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside

NCGC00385086-01_C19H28O10_2-Phenylethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside

C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

NCGC00169814-02_C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

C23H28O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,4a,9,10,10a-hexahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-2-oxo-, methyl ester, (1R,4aS,9S,10S)

NCGC00385132-01_C23H28O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,4a,9,10,10a-hexahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-2-oxo-, methyl ester, (1R,4aS,9S,10S)-

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol

(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol

methyl (1R,4aS,9S,10S)-10-acetyloxy-5,9-dihydroxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-1-carboxylate

(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol

MMV023969

Cyproterone acetate

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9521; ORIGINAL_PRECURSOR_SCAN_NO 9516 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9556; ORIGINAL_PRECURSOR_SCAN_NO 9553 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9587; ORIGINAL_PRECURSOR_SCAN_NO 9585 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9594; ORIGINAL_PRECURSOR_SCAN_NO 9592 ORIGINAL_PRECURSOR_SCAN_NO 9592; CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9594 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9566; ORIGINAL_PRECURSOR_SCAN_NO 9564 CONFIDENCE standard compound; INTERNAL_ID 318; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9608; ORIGINAL_PRECURSOR_SCAN_NO 9606

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_major

(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol_major

(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_major

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_14.0\\%

(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_64.2\\%

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_minor

rel-Methylenedioxy-tetramethoxy-epoxylignan

rel -Methylenedioxy-tetramethoxy-epoxylignan

Cys Pro Pro Thr

(2S,3R)-2-{[(2S)-1-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

Cys Pro Thr Pro

(2S)-1-[(2S,3R)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

Cys Thr Pro Pro

(2S)-1-{[(2S)-1-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Phe Gly Gly His

(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-(1H-imidazol-4-yl)propanoic acid

Phe Gly His Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]acetic acid

Phe His Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}acetic acid

Gly Phe Gly His

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid

Gly Phe His Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid

Gly Gly Phe His

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

Gly Gly His Phe

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

Gly His Phe Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]acetic acid

Gly His Gly Phe

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-phenylpropanoic acid

His Phe Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]acetamido}acetic acid

His Gly Phe Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-phenylpropanamido]acetic acid

His Gly Gly Phe

(2S)-2-(2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}acetamido)-3-phenylpropanoic acid

His Ser Ser Ser

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

Asp Pro Trp

Pro Cys Pro Thr

(2S,3R)-3-hydroxy-2-{[(2S)-1-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}butanoic acid

Pro Cys Thr Pro

(2S)-1-[(2S,3R)-3-hydroxy-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]butanoyl]pyrrolidine-2-carboxylic acid

Pro Pro Cys Thr

(2S,3R)-3-hydroxy-2-[(2R)-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]butanoic acid

Pro Pro Thr Cys

(2R)-2-[(2S,3R)-3-hydroxy-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}butanamido]-3-sulfanylpropanoic acid

Asp Trp Pro

Pro Thr Cys Pro

(2S)-1-[(2R)-2-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Pro Thr Pro Cys

(2R)-2-{[(2S)-1-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Trp Asp Pro

Ser His Ser Ser

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

Ser Ser His Ser

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

Ser Ser Ser His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

Thr Cys Pro Pro

(2S)-1-{[(2S)-1-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Thr Pro Cys Pro

(2S)-1-[(2R)-2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Thr Pro Pro Cys

(2R)-2-{[(2S)-1-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Armillaric acid

2-[(2,4-dihydroxy-6-methylphenyl)carbonyloxy]-2a-hydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]indene-3-carboxylic acid

10-Hydroxymelleolide

3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

Paxgp

2-(2-phenylethoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside

Benzyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside

2-Phenylethyl 2-O-?-D-xylopyranosyl-?-D-glucopyranoside

Ustusolate F

catechin 3-octanoate

2-(3,4-dihydroxyphenyl)-3-octanoyl-chromane-5,7-diol

dipotassium hexadec-2-enylsuccinate

C20H34K2O4 (416.1731)

3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol

C23H29ClN2OS (416.1689)

gamma-secretase modulator 1

Pyrinoline

C27H20N4O (416.1637)

C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent

3H-Indolium, 2-(2-(4-((2-chloroethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)

C24H30Cl2N2 (416.1786)

7,7-dimethyl-1-(4-methylphenyl)-3-[(3-nitrophenyl)methyl]-6,8-dihydroquinoline-2,5-dione

C25H24N2O4 (416.1736)

benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,hexanedioic acid

Licogliflozin

C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor

1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoroindolin-1-yl)-2-(6-methylpyridin-2-yl)ethanone

C23H21FN6O (416.1761)

Phosphorane, pentaphenyl-

C30H25P (416.1694)

gomisin A

Schizandrol B

D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3]. Schisandrol B (Gomisin-A) is a major active constituent of Schisandra chinensis with hepato-protective effects. Schisandrol B inhibits reactive oxygen species (ROS) production. Schisandrol B inhibits the activity of P-glycoprotein and CYP3A and also has anti-inflammatory, anti-diabetic and antioxidant activities[1][2][3].

N-[[5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophen-2-yl]methyl]pyridin-3-amine

Benzyl alcohol beta-D-rutinoside

(2R,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

2-Phenylethyl beta-primeveroside

A 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside in which the anomeric substituent is specified as 2-phenylethyl.

10alpha-Hydroxymelleolide

carboxy-fusarin C

C22H26NO7- (416.1709)

Methyl 9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,7,8,9-octahydrobenzo[f]isochromene-7-carboxylate

CID 15138533

Phenethyl 2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside

Armillaritin

Yunnankadsurin B

A natural product found in Kadsura ananosma.

4-(beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate

evolvoid A

A cinnamate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with 2-methylbutane-1,2,3-triol and in which the hydroxy group at position 4 is replaced by a 2,3,4-trihydroxy-2-methylbutyl]oxy group. Isolated from the whole plants of Evolvulus alsinoides, it exhibits characteristics of an Ayurvedic crude drug.

Trp-Pro-Asp

(1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide

C18H23F3N4O4 (416.1671)

(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide

C18H23F3N4O4 (416.1671)

(6S,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

Asp-Trp-Pro

Phe-Asn-His

Pro-Trp-Asp

Trp-Asp-Pro

Asn-His-Phe

Asn-Phe-His

Asp-Pro-Trp

His-Asn-Phe

His-Phe-Asn

Phe-His-Asn

Pro-Asp-Trp

(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(E,6R)-6-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxyhept-2-enoate

C22H26NO7- (416.1709)

2-[2-[(E)-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]-3-oxocyclopenten-1-yl]acetic acid

Phenylethyl primeveroside

ST 23:6;O2;S

C23H28O5S (416.1657)

ST 23:6;O7

EN4

C25H24N2O4 (416.1736)

EN4 is a covalent ligand that targets cysteine 171 (C171) of MYC. EN4 is selective for c-MYC over N-MYC and L-MYC. EN4 inhibits MYC transcriptional activity, downregulates MYC targets, and impairs tumorigenesis[1].

3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-10-ol

(1s)-1-[8-butanoyl-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-oxochromen-4-yl]propyl acetate

(1s,10s,12r,13r,14r,17r)-12-hydroxy-5-[(1e,3r,4r)-4-hydroxy-3-methylpent-1-en-1-yl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione

1,4a,5-trimethyl 1-[2-(furan-3-yl)ethyl]-2-methyl-2,3,4,8a-tetrahydronaphthalene-1,4a,5-tricarboxylate

6-[(2s,3s,4s,5r)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole

5-{[(3r,4r,5s)-5-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl}-2h-1,3-benzodioxole

(9r,10r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-9-ol

(1r,15r,18r)-4,5,6,10,11-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-9-ol

methyl (1s,3s,4s,5r,12r,13s,14r)-7-formyl-5-hydroxy-5,10-dimethyl-2,6-dioxo-13-pentyl-11-oxatetracyclo[6.5.1.0⁴,¹⁴.0¹²,¹⁴]tetradeca-7,9-diene-3-carboxylate

6-[(2r,3r,4s,5r)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole

(2s,3r,4s,5s,6r)-2-{4-[(1e)-3,3-dimethoxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

[(3s,4r)-4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-5,6,7-trimethoxy-3,4-dihydronaphthalen-2-yl]methanol

(3s,3ar,4s,9ar,9bs)-3,6,9-trimethyl-2,7-dioxo-4-(propanoyloxy)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl (2z)-2-methylbut-2-enoate

(1s,8r,9r,10r)-3,4,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.0¹,⁶.0¹¹,¹⁶]heptadeca-3,5,11,13,15-pentaen-2-one

isopropyl 4-{7,8-dihydroxy-6-methoxy-3,10-dimethyl-4-oxo-2h-naphtho[2,3-b]pyran-3-yl}butanoate

(9s,10s,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-ol

5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)-2-(2-phenylethoxy)oxane-3,4-diol

(1r,3as,4r,6as)-1-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan

(9s,10s,11r)-3,4,11,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-5-ol

9-acetyl-3-(3,4-dihydroxy-3,5-dimethylhept-1-en-1-yl)-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione

(1r)-1-[5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-2-oxochromen-4-yl]propyl acetate

5-{[(3r,4r,5r)-5-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl}-2h-1,3-benzodioxole

(2s,3s,4r,5r,6s)-4-(benzyloxy)-2-{[(3r,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,5-diol

3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-9-ol

(2r,3s,4s,5r,6r)-2-({[(2r,3s,4s)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

(9s,10s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-9-ol

(8r,9s)-4,8-dihydroxy-9-methyl-12-octanoyl-11-oxo-8-[(1e)-prop-1-en-1-yl]-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(12),2(6),4-triene-5-carbaldehyde

(3ar,4r,6s,6ar,9ar,9br)-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl 2,2-dimethyl-4,7-dihydro-1,3-dioxepine-5-carboxylate

(2r,4ar,7r,7as,7br)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

(3r)-1,7-bis(4-hydroxy-3-methoxyphenyl)-5-oxoheptan-3-yl acetate

2-phenylethyl β-primeveroside

{"Ingredient_id": "HBIN006317","Ingredient_name": "2-phenylethyl \u03b2-primeveroside","Alias": "NA","Ingredient_formula": "C19H28O10","Ingredient_Smile": "C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

3-(3,4-dimethoxybenzyl)-4-(3,4,5-trimethoxybenzyl)-2(3h)-furanone

{"Ingredient_id": "HBIN007128","Ingredient_name": "3-(3,4-dimethoxybenzyl)-4-(3,4,5-trimethoxybenzyl)-2(3h)-furanone","Alias": "NA","Ingredient_formula": "C23H28O7","Ingredient_Smile": "NA","Ingredient_weight": "416.47","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8491","PubChem_id": "NA","DrugBank_id": "NA"}

(5s)-5-acetoxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptan-3-one

{"Ingredient_id": "HBIN011925","Ingredient_name": "(5s)-5-acetoxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptan-3-one","Alias": "NA","Ingredient_formula": "C23H28O7","Ingredient_Smile": "CC(=O)OC(CCC1=CC(=C(C=C1)O)OC)CC(=O)CCC2=CC(=C(C=C2)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14115","TCMID_id": "135","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

benzyl 6-o-α-l-rhamnopyranosyl-(1→6)β-d-glucopyranoside

{"Ingredient_id": "HBIN017841","Ingredient_name": "benzyl 6-o-\u03b1-l-rhamnopyranosyl-(1\u21926)\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2296","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4-[1-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydro-1h-cyclopenta[c]furan-4-yl]-2,6-dimethoxyphenol

5-[(2s,3s,4s,5r)-5-(3,4-dimethoxyphenyl)-3,4-bis(methoxymethyl)oxolan-2-yl]-2h-1,3-benzodioxole

3-formyl-4a-hydroxy-2a-methoxy-6,7b-dimethyl-1h,2h,5h,6h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

(2r,2as,4as,7r,7as,7br)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dimethyloxolan-2-one

(1s,14r,15r,16s)-5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol

6-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole

(2r,2as,4ar,6s,7br)-3-formyl-4a-hydroxy-2a-methoxy-6,7b-dimethyl-1h,2h,5h,6h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

(2r,2ar,4ar,7r,7as,7br)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

(3r,4s,5s,6r)-2-(2-phenylethoxy)-6-({[(3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

12-hydroxy-5-(4-hydroxy-3-methylpent-1-en-1-yl)-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione

(1s,2r,3'r,4'bs,7'r,8'as,9's,10's)-10'-(formyloxy)-9'-hydroxy-2,4'b,7'-trimethyl-8'-methylidene-1',4'-dioxo-5',6',7',8'a,9',10'-hexahydro-3'h-spiro[cyclopropane-1,2'-phenanthren]-3'-yl acetate

(2r,3s,4s,5r,6r)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol

5,7-dimethoxy-3-methyl-6-(prop-2-en-1-yloxy)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran

2-{3-hydroxy-2-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

10'-(formyloxy)-9'-hydroxy-2,4'b,7'-trimethyl-8'-methylidene-1',4'-dioxo-5',6',7',8'a,9',10'-hexahydro-3'h-spiro[cyclopropane-1,2'-phenanthren]-3'-yl acetate

(2r,3s,4s,5r,6r)-2-({[(2s,3s,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-(2-phenylethoxy)-6-({[(2s,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyloxy)-6-propylbenzoic acid

(2r,4ar,7as,7br)-2-(2,4-dihydroxy-6-methylbenzoyloxy)-2a-hydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]indene-3-carboxylic acid

(2s,3s,5r)-5,7-dimethoxy-3-methyl-5-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one

11-hydroxy-4,5,13,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-one

(2r,3r,4r,5r,6s)-2-{[(2s,3r,4r,5s,6s)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

(1r,15r,18r)-4,5,9,10,11-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-6-ol

4a,8-dimethyl-3-methylidene-9-[(2-methylpropanoyl)oxy]-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl 2-methylprop-2-enoate

4,8-dihydroxy-9-methyl-12-octanoyl-11-oxo-8-(prop-1-en-1-yl)-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(12),2(6),4-triene-5-carbaldehyde

3,4,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.0¹,⁶.0¹¹,¹⁶]heptadeca-3,5,11,13,15-pentaen-2-one

(9s,10s,11s)-11-hydroxy-4,5,13,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-one

(9s,10s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-10-ol

3-{[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-5,6-diethyl-4-hydroxypyran-2-one

(1r,2r,6r,7r,9s,13z)-6,7,12-trihydroxy-13-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,5,6,9,11-pentamethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-4,11-diene-3,10-dione

(1s,2s,5s,6r,7s)-7-(4-hydroxy-3-methoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-yl acetate

butyl 2-hydroxy-3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate

5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol

1-[5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-2-oxochromen-4-yl]propyl acetate

4-[(1r,3as,4r,6ar)-1-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydro-1h-cyclopenta[c]furan-4-yl]-2,6-dimethoxyphenol

5-[(2s,3r,4s,5s)-5-(3,4-dimethoxyphenyl)-3,4-bis(methoxymethyl)oxolan-2-yl]-2h-1,3-benzodioxole

4,5,9,10,11-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-6-ol

(2s,3r)-5,7-dimethoxy-2-methyl-6-(prop-2-en-1-yloxy)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran

methyl (1r,2r,4s,4ar,5's,8as)-4-(acetyloxy)-5'-(furan-3-yl)-2,4a-dimethyl-2'-oxo-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate

3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-ol

(9e)-4,9-dimethyl-14-methylidene-8-[(2-methylprop-2-enoyl)oxy]-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylprop-2-enoate

4,5,6,10,11-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-9-ol

(2r,3r,4s,5s,6r)-2-(2-phenylethoxy)-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

6-[(2r,3r,4r,5s)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole

4,5,6,9,10-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-11-ol

5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol

2-hydroxy-4-(2-hydroxy-4-methoxy-6-propylbenzoyloxy)-6-pentylbenzoic acid

1-{9-hexanoyl-6a-methyl-6,8-dioxo-9h,9ah-furo[2,3-h]isochromen-3-yl}propan-2-yl acetate

(8r,9s,10s)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-8-ol

(8r,9s,10r)-3,4,5,8-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-19-ol

(1r,15r,18r)-4,5,6,9,10-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-11-ol

4,9-dimethyl-14-methylidene-8-[(2-methylprop-2-enoyl)oxy]-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylprop-2-enoate

2-heptyl-6-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)benzoic acid

(2s)-2-{2,6-dimethoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}-1-(3,4,5-trimethoxyphenyl)propan-1-one

(1r,11r,12s,17s,18s,19r)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶]icosa-2,4(8),9,13,15-pentaene

2,3,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.0¹,⁶.0¹¹,¹⁶]heptadeca-2,5,11,13,15-pentaen-4-one

(2r,2as,4as,7as,7br)-2-(2,4-dihydroxy-6-methylbenzoyloxy)-2a-hydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]indene-3-carboxylic acid

(2r,3r,4s,5s,6r)-2-[(1r)-1-phenylethoxy]-6-({[(2r,3s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3s,3ar)-5,7-dimethoxy-2-methyl-3a-(prop-2-en-1-yl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one

6-[(2r,3r,4s,5s)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole

9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl 2,2-dimethyl-4,7-dihydro-1,3-dioxepine-5-carboxylate

(2e)-3-(3,5-dimethoxy-4-{[(2s)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy}phenyl)prop-2-enal

(2r,3r,4s,5s,6r)-2-[(2r)-3-hydroxy-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}oxane-3,4,5-triol

(1s,15s,18s)-4,5,9,10,11-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaen-6-ol

6-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-3,5-dimethoxy-7-methyl-1-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-yl acetate

4-(2-heptyl-6-hydroxy-4-methoxybenzoyloxy)-2-hydroxy-6-methylbenzoic acid

6,7,12-trihydroxy-13-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,5,6,9,11-pentamethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-4,11-diene-3,10-dione

10-hydroxy-2-(2-methoxypropan-2-yl)-16-(2-methylprop-1-en-1-yl)-7,14,15-trioxahexacyclo[9.5.2.0¹,¹².0⁴,¹⁸.0⁶,⁸.0⁹,¹³]octadec-3-ene-5,17-dione

methyl (1s,4ar,9r,10r)-10-(acetyloxy)-5,9-dihydroxy-7-isopropyl-1,4a-dimethyl-2-oxo-10,10a-dihydro-9h-phenanthrene-1-carboxylate

6-[(2r,3r,4r,5r)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-2h-1,3-benzodioxole

(1r,2r,6s,8s,9r,10s,11r,12r,13r,16r,18s)-10-hydroxy-2-(2-methoxypropan-2-yl)-16-(2-methylprop-1-en-1-yl)-7,14,15-trioxahexacyclo[9.5.2.0¹,¹².0⁴,¹⁸.0⁶,⁸.0⁹,¹³]octadec-3-ene-5,17-dione

(1r,2r,4r,6r,8s,9z,11s)-4,9-dimethyl-14-methylidene-8-[(2-methylprop-2-enoyl)oxy]-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylprop-2-enoate

(9s,10s,11r)-3,4,5,11-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-19-ol

(2s,3r,4s,5r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}oxane-3,4,5-triol

(3s)-3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dihydroxy-2-benzofuran-1-one

1,7-bis(4-hydroxy-3-methoxyphenyl)-5-oxoheptan-3-yl acetate

(1s,8r,9r,10r)-2,3,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.0¹,⁶.0¹¹,¹⁶]heptadeca-2,5,11,13,15-pentaen-4-one

[(2s,3r,4z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol

5-({5-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl}methyl)-2h-1,3-benzodioxole

butyl (2r)-2-hydroxy-3-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate

(9s,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-ol

(1s,10s)-2,3,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.0¹,⁶.0¹¹,¹⁶]heptadeca-2,5,11,13,15-pentaen-4-one

(3as,4s,4ar,7as,8s,9r,9as)-4a,8-dimethyl-3-methylidene-9-[(2-methylpropanoyl)oxy]-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl 2-methylprop-2-enoate

(1s,2s,6r,8s,9r,10s,11s,12r,13s,15r,17r)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-en-1-yl)-7,14,18-trioxahexacyclo[10.4.2.0¹,¹¹.0⁴,¹⁰.0⁶,⁸.0¹³,¹⁵]octadec-3-ene-5,16-dione

(1s,2s,6r,8s,9r,10s,11s,12r,13s,15r,17r)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-en-1-yl)-7,14,18-trioxahexacyclo[10.4.2.0¹,¹¹.0⁴,¹⁰.0⁶,⁸.0¹³,¹⁵]octadec-3-ene-5,16-dione