Exact Mass: 652.281641

Exact Mass Matches: 652.281641

Found 232 metabolites which its exact mass value is equals to given mass value 652.281641, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Hernandezine

(1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene

C39H44N2O7 (652.3148354)

Hernandezine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid. Hernandezine is a natural product found in Thalictrum delavayi, Thalictrum fendleri, and other organisms with data available. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids

Crocin 3

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid

C32H44O14 (652.2730924)

Beta-D-gentiobiosyl crocetin is a dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-gentiobiose. It is a dicarboxylic acid monoester, a glycoside and a disaccharide derivative. It is functionally related to a crocetin and a gentiobiose. It is a conjugate acid of a beta-D-gentiobiosyl crocetin(1-). beta-D-gentiobiosyl crocetin is a natural product found in Gardenia jasminoides, Apis cerana, and Crocus sativus with data available. Isolated from saffron. Crocin 3 is found in saffron and herbs and spices. Crocin 3 is found in herbs and spices. Crocin 3 is isolated from saffron.

Dicrocin

(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid

C32H44O14 (652.2730924)

Dicrocin is a water-soluble crocetin glycoside, a carotenoid pigment of saffron (Crocus sativus L.) that has been used as a spice for flavoring and coloring food preparations, and in Chinese traditional medicine as an anodyne or tranquilizer. Saffron is now used worldwide in folk medicine and is reputed to be useful in treating various human disorders such as heart and blood disorders. Stroke and heart attack are involved in reputed folkloric uses of saffron. Saffron is orally administrated as a decoction. Saffron extract exerts a protective effect on renal ischemia reperfusion induced oxidative damage in rats. (PMID: 17215084). Crocetin esters present in saffron stigmas and in Gardenia jasminoides Ellis fruit are the compounds responsible for their color. (PMID: 16448211). Bis(beta-D-glucosyl) crocetin is a diester resulting from the formal condensation of each of the carboxylic acid groups of crocetin with an anomeric hydroxy group of beta-D-glucopyranose. It is a diester and a beta-D-glucoside. It is functionally related to a crocetin and a beta-D-glucose. Dicrocin is a natural product found in Crocus sativus with data available.

Thalidasine

19H-2,3,7-[1,3]Butadien[1]yl[4]ylidene-9,12-etheno-14,18-metheno-4H-pyrido[2,3,4-tu]-1,13,6-benzodioxaazacyclodocosine,5,6,7,8,19a,20,21,22-octahydro-15,24,25,31,32-pentamethoxy-6,20-dimethyl-,(7S,19a

C39H44N2O7 (652.3148354)

Secoisotetrandrine

4-[5-({6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-2-methoxyphenoxy]benzaldehyde

C38H40N2O8 (652.2784520000001)

Secoisotetrandrine is found in herbs and spices. Secoisotetrandrine is an alkaloid from leaves of Laurelia sempervirens (Peruvian nutmeg). Alkaloid from leaves of Laurelia sempervirens (Peruvian nutmeg). Secoisotetrandrine is found in herbs and spices.

(-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside]

4-({4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C31H40O15 (652.236709)

(-)-Matairesinol 4-[apiosyl-(1->2)-glucoside] is found in fats and oils. (-)-Matairesinol 4-[apiosyl-(1->2)-glucoside] is a constituent of safflower oil cake Carthamus tinctorius. Constituent of safflower oil cake Carthamus tinctorius. (-)-Matairesinol 4-[apiosyl-(1->2)-glucoside] is found in fats and oils.

Dehydroisocoproporphyrinogen

3-[15,20-bis(2-carboxyethyl)-19-(carboxymethyl)-10-ethenyl-5,9,14-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid

C36H36N4O8 (652.2533016000001)

Dehydroisocoproporphyrinogen is a member of the isocoproporphyrinogen family, a group that is excreted in only trace amounts in healthy humans, but up to 36\\% of porphyrins excreted in porphyria cutanea tarda. Formed from pentacarboxyporphyrinogen by coproporphyrinogen III oxidase (Biochem J. 1991 Jan 1;273(Pt 1):246-7). A member of the isocoproporphyrinogen family, a group that is excreted in only trace amounts in healthy humans, but up to 36\\% of porphyrins excreted in porphyria cutanea tarda. Formed from pentacarboxyporphyrinogen by coproporphyrinogen III oxidase (Biochem J. 1991 Jan 1;273(Pt 1):246-7) [HMDB]

Martynoside

5-Hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C31H40O15 (652.236709)

Sialorphin

1-(2-{[2-({2-[(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-carboxypropanoyl)pyrrolidine-2-carboxylate

C26H40N10O10 (652.2928740000001)

Thalrugosaminine

6,19,20,21,25-pentamethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18(33),19,21,24,26,31-dodecaene

C39H44N2O7 (652.3148354)

Thalrugosaminine is a natural product found in Thalictrum foetidum with data available.

Baccatin IV

C32H44O14 (652.2730924)

Isomartynoside

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C31H40O15 (652.236709)

Isomartynoside is a natural product found in Prostanthera melissifolia, Plantago asiatica, and other organisms with data available.

Martynoside

C31H40O15 (652.236709)

Herveline B

C39H44N2O7 (652.3148354)

Taxuchin A

C32H44O14 (652.2730924)

Desacetylpyramidaglain D

C38H40N2O8 (652.2784520000001)

A flavagline with a cyclopenta[bc]benzopyran skeleton isolated from the leaves of Aglaia forbesii. It exhibits antitubercular and antiviral activity.

Acetylpringleine

[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5,7-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,9,10-pentol

C35H40O12 (652.251964)

Thalifaramine

C39H44N2O7 (652.3148354)

1-Hydroxybaccatin I

1beta-hydroxybaccatin I

C32H44O14 (652.2730924)

Salutadimerine

C38H40N2O8 (652.2784520000001)

HMS3346N01

C31H40O15 (652.236709)

1)-beta-D-glucopyranoside

A limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides.

citrusoside D

Leu Thr Phe Gln Met

C30H48N6O8S (652.3254168)

Tyr Ala Arg Asp Glu

C27H40N8O11 (652.281641)

BaccatinIV

[(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-2,4,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] acetate

C32H44O14 (652.2730924)

Baccatin IV is a natural product found in Taxus wallichiana, Taxus baccata, and other organisms with data available.

(2R,3R,4S,5R,7S,8R,9S,13R,15R)-3,5,7,9,14,15-Hexaacetoxy-8-hydroxy-14-oxojatropha-6(17),11E-diene / jatrophane ester isolated from Euphorbia amygdaloides ssp semiperfoliata

C32H44O14 (652.2730924)

5_,14_,15_-O-triacetoxy-7_-O-benzoyloxy-3_-O-propanoyloxymyrsinol

"5_,14_,15_-O-triacetoxy-7_-O-benzoyloxy-3_-O-propanoyloxymyrsinol "

C36H44O11 (652.2883474)

[5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

NCGC00180412-02![5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C31H40O15 (652.236709)

Isohernandezine

C39H44N2O7 (652.3148354)

Annotation level-1

Crocin III

C32H44O14 (652.2730924)

Beta-D-gentiobiosyl crocetin is a dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-gentiobiose. It is a dicarboxylic acid monoester, a glycoside and a disaccharide derivative. It is functionally related to a crocetin and a gentiobiose. It is a conjugate acid of a beta-D-gentiobiosyl crocetin(1-). beta-D-gentiobiosyl crocetin is a natural product found in Gardenia jasminoides, Apis cerana, and Crocus sativus with data available. A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-gentiobiose.

Asp Phe Trp Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C35H36N6O7 (652.2645345999999)

Asp Trp Phe Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O7 (652.2645345999999)

Asp Trp Trp Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O7 (652.2645345999999)

Glu Arg Trp Tyr

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid