Exact Mass: 648.3429
Exact Mass Matches: 648.3429
Found 330 metabolites which its exact mass value is equals to given mass value 648.3429
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phytolaccoside A
Isolated from Phytolacca americana (pokeberry). Phytolaccoside A is found in fruits and green vegetables. Phytolaccoside A is found in fruits. Phytolaccoside A is isolated from Phytolacca americana (pokeberry
Tragopogonsaponin A
Tragopogonsaponin A is found in green vegetables. Tragopogonsaponin A is isolated from Tragopogon porrifolius (salsify). Isolated from Tragopogon porrifolius (salsify). Tragopogonsaponin A is found in green vegetables.
Lyciumoside III
Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside III is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside III is found in coffee and coffee products. Lyciumoside III is a constituent of Lycium chinense (Chinese boxthorn).
2a-Hydroxygypsogenin 3-O-b-D-glucoside
2a-Hydroxygypsogenin 3-O-b-D-glucoside is found in fruits. 2a-Hydroxygypsogenin 3-O-b-D-glucoside is a constituent of smooth luffa (Luffa cylindrica) leaves (the gourd and not the leaves of the plant is a food source). Constituent of smooth luffa (Luffa cylindrica) leaves (the gourd and not the leaves of the plant is a food source). 2a-Hydroxygypsogenin 3-O-b-D-glucoside is found in fruits.
Proctolin
Momordicine III
Momordicine iii is a member of the class of compounds known as cucurbitacins. Cucurbitacins are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Momordicine iii is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Momordicine iii can be found in bitter gourd, which makes momordicine iii a potential biomarker for the consumption of this food product.
Hydratoperidinin
3alpha-hydroxylup-20(29)-en-30-ol-23,28-dioic acid 23-O-beta-D-glucopyranosyl ester
(1S,2R,3S,3aR,5S,6R,7S,7aS)-2-acetoxy-1-(1-acetoxyethyl)octahydro-3,6-bis[(2-methylbutanoyl)oxy]-4-methylidene-7-[(2S)-2-methyloxyran-2-yl]-1H-inden-5-yl (2E)-3-methylpent-2-enoate
(5alpha,6alpha,7alpha,12beta,22R)-5,12-dihydroxy-1,26-dioxo-6,7:22,26-diepoxyergosta-2,24-dien-27-yl beta-D-glucopyranoside|baimantuoluoside A
2alpha,3beta,23-tetrahydroxyurs-12,19-dien-28-oic acid 28-O-beta-D-glucopyranoside|2alpha,3beta,23-trihydroxyurs-12,19-dien-28-oic acid 28-O-beta-D-glucopyranoside|2alpha,3beta,23-trihydroxyursa-12,19-dien-28-oic acid 28-O-beta-D-glucopyranosyl ester|isopinfaenoic acid 28-glucosyl ester
(1S,2S,4R,9beta,16alpha,23S)-1,20-dihydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-2-yl beta-D-glucopyranoside|16alpha,23alpha-epoxy-2beta,3alpha,20beta-trihydroxy-10alpha,23alpha-cucurbita-5,24-dien-11-on-2-yl beta-D-glucopyranoside|xuedanglycoside A
11,21-dioxo-3beta,15alpha,24-trihydroxyurs-12-ene-24-O-beta-D-glucopyranoside
2alpha,19alpha-dihydroxy-3-oxo-olean-12-en-28-oic acid-28-O-beta-D-glucopyranoside
3-O-beta-D-glucuronopyranosyl-2beta-hydroxyoleanolic acid|3-O-[beta-D-glucuronopyranosyl] 2beta-hydroxy oleanolic acid|caryocaroside IV-5
(1R)-1,4-epoxy-3,4-seco-lup-20(30)-ene-3,28-dioic acid 3-O-beta-D-glucopyranoside|acanthosessilioside D
(23epsilon)-1-O-cinnamoyl-17-defurano-17-(4-methoxy-2-buten-4-olide-2-yl)salannic acid methyl ester
3-O-(beta-D-glucopyranosyl)-3alpha-hydroxylup-20(29)-ene-23,28-dioic acid
3-O-beta-D-glucuronopyranosyl-3beta,11alpha,24-trihydroxyolean-12-en-22-one|sarosiensin VI
2alpha,3beta,23-trihydroxyurs-12,20(30)-dien-28-oic acid beta-D-glucopyranoside
3alpha,19alpha-dihydroxy-2-oxours-12-en-28-oic acid 28-O-beta-D-glucopyranosyl ester|potentillanoside B
7,8-didehydrocimigenol 3-O-beta-D-galactopyranoside|7,8-didehydrocimigenol-3-O-beta-D-galactopyranoside
11,21-dioxo-2beta,3beta,15alpha-trihydroxyurs-12-ene-2-O-beta-D-glucopyranoside
11,21-dioxo-3beta,15alpha,24-trihydroxyolean-12-ene-24-O-beta-D-glucopyranoside
2beta,3beta-dihydroxy-30-norolean-12,20(29)-diene-23,28-dioic acid 28-O-beta-D-glucopyranosyl ester
20-hydroxyecdysone 2,3,22,25-tetraacetate|Crustecdyson-2,3,22,25-tetraacetat (Viticosteron E-2,3,22-triacetat)|ecdysterone 2,3,22,25-tetraacetate|ecdysterone 2beta,3beta,22R,25-tetraacetate|ecdysterone tetraacetate
Potentillanoside A
Odoracin
Yuanhuacin is a natural product found in Lasiosiphon kraussianus and Daphne genkwa with data available.
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate
C36H56O10_Olean-12-en-28-oic acid, 3-(beta-D-glucopyranuronosyloxy)-23-hydroxy-, (3beta,5xi,9xi,18xi)
(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(4aS,6aR,6bR,10S,12aR)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000846280]
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based: Match]
Cytotrienin A
A 21-membered macrocyclic lactam which contains three conjugated double bonds as part of the ring system. It acts as an apoptosis inducer in human leukemia HL-60 cells and is isolated from Streptomyces sp. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins
Phytolaccoside A
Tragopogonsaponin A
Lyciumoside III
2a-Hydroxygypsogenin 3-O-b-D-glucoside
Evasterioside C
1,3,3-trimethyl-2-((e)-2-(2-(1-naphthyl)-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-3h-indolium tetrafluoroborate
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate,dihydrochloride
1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside
A triterpenoid saponin that is olean-12-ene attached to hydroxy groups at positions 3 and 23, oxo groups at positions 1 and 28 and a beta-D-glucopyranosyloxy group at position 28. It has been isolated from the leaves and twigs of Juglans sinensis.
(2R,3R,4R,5R)-3,4-Dihydroxy-N,N-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-YL]-2,5-bis(2-phenylethyl)hexanediamide
Physostigmine sulphate
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
(3S,4S,6aR,6bS,8aS,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
quillaic acid 28-beta-D-glucoside
A beta-D-glucoside that is quillaic acid in which the carboxy group at position 28 is substituted by a beta-D-glucopyranoside group.
L-tryptophylglycyl-L-isoleucyl-L-histidyl-L-histidine
2-[[2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
[(E,5R)-2-methyl-5-[(3S,5S,6R,8S,9R,10S,13R,14S,15S,17R)-6,8,15-trihydroxy-10,13-dimethyl-3-[(2S,3S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hex-3-enyl] hydrogen sulfate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-phosphonooxypropyl] (8E,11E,14E)-heptadeca-8,11,14-trienoate
[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (11E,14E)-heptadeca-11,14-dienoate
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1-myo-inositol)
phosphatidylserine 26:1(1-)
A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 26 carbons in total and 1 double bond.
Proctolin
Proctolin is an endogenous pentapeptide that acts as an excitatory neuromodulator.
(1r,2r,4r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl benzoate
(1s,2s,3ar,5r,9s,10s,11s,13r,13as)-9,10-bis(acetyloxy)-3a,5,13-trihydroxy-2,5,8,8-tetramethyl-11-{[(2z)-2-methylbut-2-enoyl]oxy}-12-methylidene-4-oxo-1h,2h,3h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl (2z)-2-methylbut-2-enoate
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17r,18r)-14-[(1e)-hept-1-en-1-yl]-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl (2e)-3-phenylprop-2-enoate
(1r,2s,4as,6s,6as,6br,8ar,10r,11s,12as,12br,14br)-6,10-dihydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-11-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1h-picene-3,13-dione
(2s,3s,4s,5r,6r)-6-{[(3s,4r,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
10-hydroxy-4,5,9,13,19,20-hexamethyl-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-22,25-dioxaheptacyclo[18.3.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³.0²¹,²³]pentacosan-24-one
(1s,2s,4s,5r,10r,11s,13r,14r,15r,18s)-5,13-dihydroxy-10,14-dimethyl-15-[(1s)-1-[(2r)-4-methyl-6-oxo-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one
(1s,2r,4as,6ar,6br,8ar,10s,12ar,12br,14br)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-4a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-6a-carboxylic acid
(1s,2s,3s,7s,8s,9r,10s,11s,12z,14s,17r)-2,7,10-tris(acetyloxy)-9-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-11-yl octanoate
6-[(8a-carboxy-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-{[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracos-4-en-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-(2-{[(2s,3r,4r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-6-heptyl-4-hydroxybenzoyloxy)-2-heptyl-6-hydroxybenzoic acid
4-(2-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-6-heptyl-4-hydroxybenzoyloxy)-2-heptyl-6-hydroxybenzoic acid
(1r,3as,5ar,5br,7ar,8r,9r,11ar,11br,13ar,13br)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
(2z,6r)-6-[(1r,3ar,5ar,7r,9as,11r,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-11-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
(4as,6ar,6br,8ar,10s,12ar,12br,14br)-2,2,6b,9,9,12a-hexamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
(2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone
4-[7-(3,7-dimethylocta-2,6-dien-1-yl)-6,8,12-trihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8-trien-15-yl]-2-methylbut-2-enoic acid
5-(acetyloxy)-2,4,12-trihydroxy-2,10,10-trimethyl-8-[(2-methylbutanoyl)oxy]-6-{[(2-methylbutanoyl)oxy]methyl}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
2-[(1-{1,4-dihydroxy-8,11-dimethyl-3,7,9-trioxatricyclo[6.3.0.0²,⁶]undecan-5-yl}-9a,11a-dimethyl-1h,2h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,2s,6s,7s,8r,10s,11r,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1e,3e)-nona-1,3-dien-1-yl]-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
6,10-dihydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1h-picene-3,13-dione
16β,22r ;21,23s-diepoxy-3β-o-β-d-glucopyra-nosyloxy-21s,24-dihydroxy-5α-stigmasta-8,14-dien-28-one
{"Ingredient_id": "HBIN001818","Ingredient_name": "16\u03b2,22r ;21,23s-diepoxy-3\u03b2-o-\u03b2-d-glucopyra-nosyloxy-21s,24-dihydroxy-5\u03b1-stigmasta-8,14-dien-28-one","Alias": "NA","Ingredient_formula": "C35H52O11","Ingredient_Smile": "CC(C)C(C1C2C(C3C(O2)C=C4C3(CCC5=C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C(O1)O)(C(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5492","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,19-trihydroxy-12-ursen-28-oic acid; (2α,3β,19α)-form,2-ketone,beta-d-glucopyranosyl ester
{"Ingredient_id": "HBIN003812","Ingredient_name": "2,3,19-trihydroxy-12-ursen-28-oic acid; (2\u03b1,3\u03b2,19\u03b1)-form,2-ketone,beta-d-glucopyranosyl ester","Alias": "NA","Ingredient_formula": "C36H56O10","Ingredient_Smile": "NA","Ingredient_weight": "648.82","OB_score": "NA","CAS_id": "146356-81-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9009","PubChem_id": "NA","DrugBank_id": "NA"}
2α,3β,24-trihydroxyurs-12,18-dien-28-oicacid28-o-β-d-glucopyranosyl ester
{"Ingredient_id": "HBIN005215","Ingredient_name": "2\u03b1,3\u03b2,24-trihydroxyurs-12,18-dien-28-oicacid28-o-\u03b2-d-glucopyranosyl ester","Alias": "NA","Ingredient_formula": "C36H56O10","Ingredient_Smile": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2=C1C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21844","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}