Exact Mass: 400.20970719999997

D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents.

11-O-Demethyl-17-O-deacetylvindoline

A derivative of vindoline lacking the 11-O-methyl and 17-O-acetyl substituents.

Cortancyl

21-Acetoxy-17alpha-hydroxypregna-1,4-diene-3,11,20-trione

Same as: D08416

Cincassiol B

11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-2,6,9,11,13,14-hexol

Constituent of Cinnamomum cassia (Chinese cinnamon) [CCD]. Cincassiol B is found in chinese cinnamon and herbs and spices. Cincassiol B is found in chinese cinnamon. Cincassiol B is a constituent of Cinnamomum cassia (Chinese cinnamon).

Atractyloside C

Marinobufagin

3-.beta.,5-Dihydroxy-14,15-.beta.-epoxy-5-.beta.-bufa-20,22-dienolide

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors

Rubschisandrin

Gomisin L1 methyl ether

Corchoionoside B

4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

Constituent of Corchorus olitorius (Jews mallow). Corchoionoside B is found in tea, herbs and spices, and green vegetables. Corchoionoside B is found in green vegetables. Corchoionoside B is a constituent of Corchorus olitorius (Jews mallow)

Nevskin

7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one

Constituent of Ferula assa-foetida (asafoetida). Nevskin is found in herbs and spices and green vegetables. Nevskin is found in green vegetables. Nevskin is a constituent of Ferula assa-foetida (asafoetida)

Melleolide

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

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

Lucidone B

14-acetyl-9-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-5,12,17-trione

Lucidone B is found in mushrooms. Lucidone B is from Ganoderma lucidum (reishi

Armillaritin

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

C21H36O5S (400.22833260000004)

Armillaritin is found in mushrooms. Armillaritin is a metabolite of Armillaria mellea (honey mushroom). Metabolite of Armillaria mellea (honey mushroom). Armillaritin is found in mushrooms.

5alpha-Pregnan-3beta,20beta-diol 3-sulfate

[(1S,2S,5S,7S,10R,11S,14S,15S)-14-[(1R)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid

5alpha-Pregnan-3beta,20beta-diol 3-sulfate, also known as 5α-pregnan-3β,20β-diol sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Pregnan-3beta,20beta-diol 3-sulfate has been identified in the human placenta (PMID: 32033212).

5alpha-Pregnan-3beta,20beta-diol 20-sulfate

[(1R)-1-[(1S,2S,5S,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethoxy]sulfonic acid

C21H36O5S (400.22833260000004)

5alpha-Pregnan-3beta,20beta-diol 20-sulfate, also known as 5α-pregnan-3β,20β-diol sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Pregnan-3beta,20beta-diol 20-sulfate has been identified in the human placenta (PMID: 32033212).

Detca

5,14-bis(acetyloxy)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4-carboxylic acid

enprostil

methyl 7-[3-hydroxy-2-(3-hydroxy-4-phenoxybut-1-en-1-yl)-5-oxocyclopentyl]hepta-4,5-dienoate

Isofloxythepin

2-{4-[14-fluoro-6-(propan-2-yl)-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-yl]piperazin-1-yl}ethan-1-ol

C23H29FN2OS (400.1984516)

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants

Marinobufagenin

5-{14,16-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-6-yl}-2H-pyran-2-one

C22H37ClO4 (400.23802320000004)

Nocloprost

7-[5-chloro-3-hydroxy-2-(3-hydroxy-4,4-dimethyloct-1-en-1-yl)cyclopentyl]hept-5-enoic acid

Prednisone acetate

2-{14-hydroxy-2,15-dimethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl}-2-oxoethyl acetate

Rubschisandrin

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)-hexaene

A polyphenol metabolite detected in biological fluids [PhenolExplorer]

MG(5-iso PGF2VI/0:0/0:0)

(2S)-2,3-Dihydroxypropyl (3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoic acid

MG(5-iso PGF2VI/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).

MG(0:0/5-iso PGF2VI/0:0)

1,3-Dihydroxypropan-2-yl (3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoic acid

MG(0:0/5-iso PGF2VI/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).

Rotundifoline

methyl (2E)-2-[(6R,7S)-6-ethyl-4-hydroxy-2-oxo-1,2,3,5,6,7,8,8a-octahydro-2H-spiro[indole-3,1-indolizine]-7-yl]-3-methoxyprop-2-enoate

Rotundifoline is a member of the class of compounds known as indolizidines. Indolizidines are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen. Rotundifoline is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rotundifoline can be found in mentha (mint) and spearmint, which makes rotundifoline a potential biomarker for the consumption of these food products.

gomisin N

(9R,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)-hexaene

(+)-schisandrin B is an organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. It has a role as a nephroprotective agent, an apoptosis inhibitor, a plant metabolite, an anti-asthmatic agent, an antioxidant, an anti-inflammatory agent, a neuroprotective agent, a hepatoprotective agent and an antilipemic drug. It is an organic heterotetracyclic compound, an aromatic ether, an oxacycle and a cyclic acetal. gomisin N is a natural product found in Kadsura coccinea, Schisandra propinqua, and other organisms with data available. An organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Gomisin N, isolated from Schisandra chinensis. Gomisin N has the potential for use in the treatment of allergy. Gomisin N is an anti-cancer agent candidate capable of inhibiting the proliferation and inducing the apoptosis in cancer[1][2][3]. Gomisin N, isolated from Schisandra chinensis. Gomisin N has the potential for use in the treatment of allergy. Gomisin N is an anti-cancer agent candidate capable of inhibiting the proliferation and inducing the apoptosis in cancer[1][2][3]. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents.

feigrisolide C

(2S,3S,6R,8R)-Homononactoyl-(2R,3R,6S,S)-nonactic acid

Speciofoline

Pterodontoside G

Ivanuol

[1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 2-acetate 5-benzoate

Desfurano-6alpha-hydroxyazadiradione

(-)-Desfurano-6alpha-hydroxyazadiradione

Pumilaside C

19-Oxobufalin

Voacristine hydroxyindolenine

(20S)-Voacristine hydroxyindolenine

Dendryphiellin E

Aglacin C

Liriopeoside A

Jerantinine H

8-Coumaroyloxy-14-thapsanol

Cinnamoylepoxyechinadiol

2-Methylpropanoyl gutespinolide

Moslolignan A

Pterodontoside H

Odonticin

1,2,3,4,4a,5,6,8a-Octahydro-7-(1-hydroperoxy-1-methylethyl)-1-hydroxy-1,4a-dimethyl-6-oxo-2-naphthalenyl ester 2,3-dihydroxy-2-methyl-butanoic acid

Triptogelin G-2

Montanine (C22 alkaloid)

Pumilaside B

[1R-[1alpha(E),2alpha,4abeta,5beta,7alpha]]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid

(+)-FR 182877

12-O-Methylanomaline

(-)-Bisabosqual C

[1R-[1alpha(E),2alpha,4abeta,5beta,8alpha,8aalpha]]- 1,2,3,4,4a,5,8,8a-Octahydro-8-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid

C23H30NO5+ (400.21238700000004)

N,O-Dimethylthaicanine

(-)-N,O-Dimethylthaicanine

Venoxidine

C23H30NO5+ (400.21238700000004)

2-O-Acetylorochrine

Pinoxaden

C22H29FN4O2 (400.22744259999996)

CONFIDENCE standard compound; EAWAG_UCHEM_ID 704

5,3-AB-CHMFUPPYCA

JWH 200 4-hydroxyindole metabolite

C25H24N2O3 (400.17868339999995)

JWH 200 6-hydroxyindole metabolite

C25H24N2O3 (400.17868339999995)

Bonactin

TCMDC-134145

C25H28N4O (400.2262998)

MLS000737091

2,16-dihydroxy-22,23,24,25,26,27-hexanorcucurbit-5-ene-11,20-dione|Hexanorcucurbitacin I

(+)-decanoyllomatin

10-O-beta-D-glucopyranosideoplopanone|oplopanone-8-O-beta-D-glucopyranoside

Antibiotikum A 32390 A

C18H28N2O8 (400.1845568)

Isolariciresinol 9,9-acetonide

5beta-hydroxy-14alpha-artebufogenin

15,16,17-Trimethoxy-21-oxo-aspidoalbidin|19-hydroxy-15,16,17-trimethoxy-aspidospermidin-21-oic acid lactone|O-methyl-21-oxo-N-depropionyl-aspidoalbine

(19R)-1-acetyl-11-methoxy-17,19-epoxy-curane-3,12-diol|11-Hydroxy-12-methoxy-N-acetylstrychnosplendin|12-Hydroxy-11-methoxy-Na-acetylstrychnosplendine|N(a)-acetyl-12-hydroxy-11-methoxystrychnosplendine

(19R)-1-acetyl-11-methoxy-17,19-epoxy-curane-3,12-diol|11-Hydroxy-12-methoxy-N-acetylstrychnosplendin|12-Hydroxy-11-methoxy-Na-acetylstrychnosplendine|N(a)-acetyl-12-hydroxy-11-methoxystrychnosplendine

Hancinone C

2,5-Cyclohexadien-1-one, 4,5-dimethoxy-4-(1-methyl-2-(3,4,5-trimethoxyphenyl)ethenyl)-2-(2-propenyl)-, (E)-

Kopeolin

cespihypotin J

Mammea C/BB

1-O-isopropyl-6-O-(5,9-dimethyl-2,8-decadienoyl)-beta-D-glucopyranoside|citrusoside A

3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid|Desacetylvindolin

6-Deoxy-2-O-alpha-L-rhamnopyranosyl-L-talose-Benzyl glycoside

Adirubine

(20S,22S,23R,24S)-14beta,22:22,25-diepoxy-5-methoxy-des-A-ergosta-5,7,9,11-tetraene-19,23-diol|blazeispirol E

8-O-(p-coumaroyl)-5beta-hydroperoxy-1(10)E,4(15)-humuladien-8alpha-ol

(8S,7S,8S)-7-Acetoxy-3,4-dimethoxy-3,4-methylenedioxy-7.1-seco-6.7,8.8-neolignan|Ac-4-(3,4-Dimethyoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol

C21H36O5S (400.22833260000004)

(4aS)-8t-Hydroxy-1t-sulfooxy-2c.10at.12at-trimethyl-(4arH.4btH.6acH.10bcH)-octadecahydro-chrysen|17abeta-Sulfooxy-17alpha-methyl-D-homo-5alpha-androstanol-(3beta)|Schwefelsaeure-mono-(3beta-hydroxy-17alpha-methyl-D-homo-5alpha-androstanyl-(17abeta)-ester)|sulfuric acid mono-(3beta-hydroxy-17alpha-methyl-D-homo-5alpha-androstanyl-(17abeta)-ester)

(4aS)-8t-Hydroxy-1t-sulfooxy-2c.10at.12at-trimethyl-(4arH.4btH.6acH.10bcH)-octadecahydro-chrysen|17abeta-Sulfooxy-17alpha-methyl-D-homo-5alpha-androstanol-(3beta)|Schwefelsaeure-mono-(3beta-hydroxy-17alpha-methyl-D-homo-5alpha-androstanyl-(17abeta)-ester)|sulfuric acid mono-(3beta-hydroxy-17alpha-methyl-D-homo-5alpha-androstanyl-(17abeta)-ester)

dippinine A

C24H32O5

17-nor-7,15-dion-8,11,13-abietatrien-18-butanedioic acid|abiesanordine N

C21H36O7

1(R),4beta-dihydroxy-trans-eudesm-6-ene-1-O-beta-D-glucopyranoside

Kadsurenin J

3beta,11-dihydroxy-drim-8(12)-en-11-O-beta-D-glucopyranoside|xianglinmaojueside A

C23H28O6

SCHEMBL19010072

4beta-cinnamoyloxy-7alpha-hydroperoxy-1beta-hydroxyeudesm-8-ene

7-Methyl-3-methylene-6-octen-1-ol-O-beta-D-(2,6-O-diacetylglucopyranoside)|7-Methyl-3-methylene-6-octen-1-ol-O-beta-D-<2,6-O-diacetylglucopyranoside>

Decarboxyperlatolic acid

7-oxo-8,11,13-abietatriene-18-succinic acid|abiesadine Q

3beta-[(beta-D-glucopyranosyl)oxy]eudesm-4(14)-en-11-ol

17,19-epoxy-17-hydroxy-11-methoxy-corynane-16-carboxylic acid methyl ester|Tetraphyllinin|Tetraphyllinine

(3aR,4aR,5R,6S,9aS)-2,3,3a,4,4a,5,6,9a-octahydro-3a,9a-dihydroxy-4a,5-dimethyl-3-methylidenenaphto<2,3-b>furan-6-yl (6S,2E,4E)-6-methylocta-2,4-dienoate|(3aR,4aR,5R,6S,9aS)-2,3,3a,4,4a,5,6,9a-octahydro-3a,9a-dihydroxy-4a,5-dimethyl-3-methylidenenaphto[2,3-b]furan-6-yl (6S,2E,4E)-6-methylocta-2,4-dienoate

(3aR,4aR,5R,6S,9aS)-2,3,3a,4,4a,5,6,9a-octahydro-3a,9a-dihydroxy-4a,5-dimethyl-3-methylidenenaphto<2,3-b>furan-6-yl (6S,2E,4E)-6-methylocta-2,4-dienoate|(3aR,4aR,5R,6S,9aS)-2,3,3a,4,4a,5,6,9a-octahydro-3a,9a-dihydroxy-4a,5-dimethyl-3-methylidenenaphto[2,3-b]furan-6-yl (6S,2E,4E)-6-methylocta-2,4-dienoate

3-alpha,12-alpha-scilliphaeosidin|3-??,12??-Scilliphaeosidin

3beta,15-Bis(angeloyloxy)furanoeremophilan

20beta,21beta-epoxy-resibufogenin|20S,21-Epoxyresibufogenin

heptaol|Pieristoxin G

16-methoxy-1-propionyl-aspidospermidine-17,21-diol|16-methoxy-limaspermine|3-Methoxy-limaspermin

6-acetyl-8-benzoylantakyatriol

13-acetoxy-14-angeloyloxycacalol methyl ether

Deacetylcinobufagin

Cabucinine

8-desoxyrietone

kopsifoline B|methyl (1S,4R,5R,13R,19S,20S)-5,19-dihydroxy-8-methoxy-6,16-diazahexacyclo[11.6.1.11.4.05.13.07.12.016.20]henicosa-7(12),8,10-triene-4-carboxylate

Suspensolide A aglucone

6,7-dihydroxykaratavicinol

Di-Ac-(6alpha,7beta)-14(17)-Vouacapene-6,7-diol

4--3-hydroxy-5-methoxy-phthalaldehyd (Asperugon)|Asperugin|Asperugin B

kadsurenin L

A neolignan with formula C23H28O6, originally isolated from Piper kadsura.

O-Acetyl-1-formylcylindrocarine

Resibufaginol

3beta,19-dihydroxy-14beta,15beta-epoxy-5beta-bufa-20,22-dienolide

fukanedone B|rel-3(S)-(2,4-dihydroxybenzoyl)-4(R),5(S)-dimethyl-5-[4,8-dimethyl-3(E)-7-nonadien-1-yl]tetrahydro-2-furanone

Gamabufotalininol

citroside A

1alpha,6beta-dihydroxy-5,10-bis-epi-eudesm-4(15)-ene-6-O-beta-D-glucopyranoside|funingensin A

Caesalpinin I

Mammea C/AA

A natural product found in Mammea americana.

mammea C/AB

7-drimen-3beta-,11-diol 3-O-beta-D-glucopyranoside

(10alpha,15beta)-15-(but-3-enoyloxy)-6-oxokaur-16-en-18-oic acid|blepharispin B

3alpha-hydroxypatchoulol 3-O-beta-D-glucopyranoside

15-hydroxypatchoulol 15-O-beta-D-glucopyranoside

Acetylvirolin

toonapubesic acid B

(2R,5S,7R,10S)-7-hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane

(2R*,5S*,7R*,10S*)-7-hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane

Hymatoxin C

C20H32O6S (400.1919492)

15-hydroxy-a-eudesmol-11-O-beta-D-glucopyranoside

CHEBI:69984

(+)-2R,7R,15R,17S,19S-10-demethoxy-12-hydroxy-17,19-epoxygeissovelline|10-demethoxy-12-hydroxy-17,19-epoxygeissovelline

mollolide A

1beta-hydroxy-3-oxo-4beta,5alpha,7alpha-H-eudesmane 11-O-alpha-L-rhamnopyranoside

bisabolol oxide A beta-D-glucoside

chuanxiongdiolide B

atractylodemayne D

tashironin B

2,7,11-trihydroxybisabola-1(15),9-diene 7-beta-D-fucopyranoside

2,7,10-trihydroxybisabola-1(15),11-diene 7-beta-D-fucopyranoside

3beta-hydroxy-4,4,14alpha-trimethyl-7,11,15,20-tetraoxo-pregn-8-en|lucidone D

C18H32N4O6 (400.23217320000003)

Bisucaberin

(5S,6E)-5-beta-D-glucopyranosyloxy-3-hydroxy-3,7,11-trimethyldodeca-1,6,10-triene|amarantholidoside III

6-acetyl-8-benzoylshiromodiol

Scillirubrosidine

magnostellin-C

3beta,11-dihydroxy-drim-8(12)-en-3-O-beta-D-glucopyranoside|xianglinmaojueside B

ervatine

ACMC-20mq17

1beta-(beta-D-glucopyranosyl)oxy-6alpha-hydroxyeudesman-4(15)-ene|1??-D-Glucopyranosyloxy-6??-hydroxyeudesman-4(15)-ene

1(R),4beta-dihydroxy-trans-eudesm-7-ene-1-O-beta-D-glucopyranoside|oplodiol 1-O-beta-D-glucopyranoside

5-Deoxy-5-oxoerythronolid B

Macrolactin-E

yanuthone B

Antibiotic 2-11-A

(3??,6??,10alpha)3,6-Dihydroxyfuranoeremophilan-9-one

3-Epimer,2-Ketone-Affinogenin DII|affinogenin D-V

Nevskin

7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one

Reserpilin

Tabernoxidine

3-ethoxy-syringin

11,14-dihydroxy-drim-8(12)-en-11-O-beta-D-glucopyranoside|xianglinmaojueside C

Pseudo-??-schisandrin

12beta-hydroxyl resibufogenin|12beta-hydroxyresibufogenin|12??-Hydroxyresibufogenin

samarcandin

Origin: Plant, Coumarins

plucheoside E

phenyl-acetic acid 9-hydroxymethyl-7-(6-oxo-piperidin-2-yl)-octahydro-quinolizin-2-yl ester

6alpha,15beta-diacetoxy-ent-kaura-9(11),16-dien-12-one

(6Z,9R,10E,12Z,15Z)-1-(2,4,6-trihydroxyphenyl)-9-hydroxyoctadeca-6,10,12,15-tetraen-1-one

MS000221770

3beta-isovaleryloxyleysseral senecioate

Icariside B2

C25H24N2O3 (400.17868339999995)

Arg Pro Glu

C16H28N6O6 (400.2070228)

Val Pro Trp

C21H28N4O4 (400.2110448)

glutamylprolylarginine

C16H28N6O6 (400.2070228)

JWH 200 7-hydroxyindole metabolite

Pro Trp Val

C21H28N4O4 (400.2110448)

CAY10412

5Z,8Z,11Z,14Z-eicosatetraenoic acid, 3-theinylmethyl ester

C25H36O2S (400.2435876)

Abiesadine Q

Rivastigmine (tartrate)

Rivastigmine tartrate (Exelon)

C18H28N2O8 (400.1845568)

2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid

NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid

7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one

NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one

NCGC00163663-02!

7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one

NCGC00384968-02!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one

schisandrin B

Gomisin L1 methyl ether

Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents. Schisandrin B (γ-Schisandrin) is a biphenylcyclooctadiene derivative isolated from Schisandra chinensis and has been shown to have antioxidant effects on the liver and heart of rodents.

C22H28N2O5_Methyl (16Z)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate

NCGC00179890-03_C22H28N2O5_Methyl (16Z)-9-hydroxy-16-(methoxymethylene)-2-oxocorynoxan-17-oate

C23H28O6_6-(Hydroxymethyl)-4-methoxy-6,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl benzoate

NCGC00380157-01_C23H28O6_6-(Hydroxymethyl)-4-methoxy-6,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl benzoate

C24H32O5_2-Propenoic acid, 3-phenyl-, 10-hydroxy-1,6-dimethyl-9-(1-methylethyl)-5,12-dioxatricyclo[9.1.0.0~4,6~]dodec-8-yl ester, (2E)

NCGC00381316-01_C24H32O5_2-Propenoic acid, 3-phenyl-, 10-hydroxy-1,6-dimethyl-9-(1-methylethyl)-5,12-dioxatricyclo[9.1.0.0~4,6~]dodec-8-yl ester, (2E)-

MMV023953

C25H28N4O (400.2262998)

Reserpic acid

Annotation level-1

Hexose + C13H17O3

Annotation level-3

7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000847022]

NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000847022]

7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based: Match]

NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based: Match]

[IIN-based on: CCMSLIB00000847848]

NCGC00163663-02! [IIN-based on: CCMSLIB00000847848]

[IIN-based: Match]

NCGC00163663-02! [IIN-based: Match]

N6-Hydroxypyridylbutyl-deoxyadenosine

C19H24N6O4 (400.1858944)

N6-Pyridylhydroxybutyl-deoxyadenosine

C19H24N6O4 (400.1858944)

Samarcandin_major