Exact Mass: 622.2109
Exact Mass Matches: 622.2109
Found 238 metabolites which its exact mass value is equals to given mass value 622.2109
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pectolinarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.997 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.998 Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2]. Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2].
Pectolinarin
Pectolinarin is a disaccharide derivative that consists of pectolinarigenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an apoptosis inducer, an anti-inflammatory agent, a plant metabolite, an antineoplastic agent, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an antioxidant. It is a dimethoxyflavone, a rutinoside, a glycosyloxyflavone, a disaccharide derivative and a monohydroxyflavanone. It is functionally related to a pectolinarigenin. Pectolinarin is a natural product found in Kickxia elatine, Scoparia dulcis, and other organisms with data available. See also: Trifolium pratense flower (part of). A disaccharide derivative that consists of pectolinarigenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.003 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.997 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.998 Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2]. Pectolinarin possesses anti-inflammatory activity[1]. Pectolinarin inhibits secretion of IL-6 and IL-8, as well as the production of PGE2 and NO. Pectolinarin suppresses cell proliferation and inflammatory response and induces apoptosis via inactivation of the PI3K/Akt pathway[2].
Campto
Irinotecan hydrochloride (anhydrous) is a hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of its trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antineoplastic agent, an apoptosis inducer and a prodrug. It contains an irinotecan(1+). Irinotecan Hydrochloride is the hydrochloride salt of a semisynthetic derivative of camptothecin, a cytotoxic, quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. Irinotecan, a prodrug, is converted to a biologically active metabolite 7-ethyl-10-hydroxy-camptothecin (SN-38) by a carboxylesterase-converting enzyme. One thousand-fold more potent than its parent compound irinotecan, SN-38 inhibits topoisomerase I activity by stabilizing the cleavable complex between topoisomerase I and DNA, resulting in DNA breaks that inhibit DNA replication and trigger apoptotic cell death. Because ongoing DNA synthesis is necessary for irinotecan to exert its cytotoxic effects, it is classified as an S-phase-specific agent. A semisynthetic camptothecin derivative that inhibits DNA TOPOISOMERASE I to prevent nucleic acid synthesis during S PHASE. It is used as an antineoplastic agent for the treatment of COLORECTAL NEOPLASMS and PANCREATIC NEOPLASMS. See also: Irinotecan (has active moiety). D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Irinotecan hydrochloride ((+)-Irinotecan hydrochloride) is a topoisomerase I inhibitor mainly used to treat colon cancer and rectal cancer[1].
Kaempferol 7,4-dimethyl ether 3-(6-(E)-p-coumarylglucoside)
Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]
4,2,3,4-Tetrahydroxychalcone 4-O-(2-O-p-coumaroyl-6-O-acetyl)glucoside
Dicliripariside C
6)-glucoside
Lethedioside A
Scutellarein 6,7-dimethyl ether 4-rutinoside
Kaempferol 7,4-dimethyl ether 3-neohesperidoside
Naringenin 7- [ 3-acetyl-6-p-coumaroylglucoside ]
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
kaempferol-3,7-di-O-methyl-4-O-beta-[alpha-rhamnosyl(1->6)]glucopyranoside|siparunoside
6,8-Di-Me ether,3-O-rutinoside-1,3,6,8-Tetrahydroxy-2-methylanthraquinone
N(4)-(2-(2,3-Dihydroxyphenyl)-5-methyl-2-oxazolin-4-yl)carboxy-N(1),N(7)-bis(2,3-dihydroxybenzoyl)norspermidine
Scutellarein 7,4-dimethyl ether 6-rhamnosyl-(1->2)-glucoside
(2R,4S)-5,7-O-beta-D-diglucopyranosyloxy-4-methoxy-6,8-dimethyl-4,2-oxidoflavane
7,5,4-Trimethoxyflavone 7-xylosyl-(1->6)-glucoside
5,7-Dihydroxy-6,4-dimethoxyflavon-7-O-rhamnoglucosid
3,3-Biapigeninyl-hexamethylether|5,7,5,7-tetramethoxy-2-(4-methoxy-phenyl)-2,3-(4-methoxy-m-phenylene)-bis-chromen-4-one|hexa-O-methyl-taiwaniaflavone|hexa-O-methyltaiwaniaflavone
cladrastin-7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|millesianin F
1,2-[beta-(3,4-dihydroxylphenyl)-alpha,beta-dioxoethanol]-3-O-caffeoyl-O-alpha-rhamnopyranosyl-(1->6)-O-beta-glucopyranoside|lianqiaoxinoside B
3-methoxyquercetin-4-O-alpha-L-rhamnopyranosyl (1-4) beta-D-glucopyranoside
(R)-6-hydroxymellein 6-O-beta-D-[5-O-(4-methoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
((aR,5S,6S,7S,8R)-5,6,7,8-tetrahydro-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-8-[((Z)-2-methylbut-2-enoyl)oxy]dibenzo[a,c]cycloocten-5-yl) benzenecarboxylate|renchangianin B
(1R*,3aS*,4E,6Z,8S*,8aR*,9S*,11R*,12R*,12aS*,13S*,13aS*)-5-[(acetoxy)methyl]-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-1,8a-dimethyl-2-oxo-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2-oxirane]-8,9,11,13-tetrayl tetraacetate|frajunolide D|rel-(1R,2S,7S,8S,9S,10S,11R,12R,14S,17R)-2,9,12,14,16-pentaacetoxy-11,20-epoxy-8-hydroxybriara-3,5-dien-18,7-olide
2-(4-Methoxyphenyl)-5,7-dimethoxy-6-[2-methoxy-5-(4-oxo-5,7-dimethoxy-4H-1-benzopyran-2-yl)phenyl]-4H-1-benzopyran-4-one
5,7,5,7-tetramethoxy-2,2-bis-(4-methoxy-phenyl)-[6,8]bichromenyl-4,4-dione|Agathisflavon-hexamethylether|agathisflavone|Hexa-Me ether-Agathisflavone|Hexa-O-methyl-agathisflavon|Hexa-O-methylagathisflavon
3-deoxy-5-O-(3-O-L-glycero-alpha-D-manno-heptopyranosyl-L-glycero-alpha-D-manno-heptopyranosyl)-D-manno-2-octulopyranosonic acid
Campto
Irinotecan hydrochloride (anhydrous) is a hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of its trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antineoplastic agent, an apoptosis inducer and a prodrug. It contains an irinotecan(1+). Irinotecan Hydrochloride is the hydrochloride salt of a semisynthetic derivative of camptothecin, a cytotoxic, quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. Irinotecan, a prodrug, is converted to a biologically active metabolite 7-ethyl-10-hydroxy-camptothecin (SN-38) by a carboxylesterase-converting enzyme. One thousand-fold more potent than its parent compound irinotecan, SN-38 inhibits topoisomerase I activity by stabilizing the cleavable complex between topoisomerase I and DNA, resulting in DNA breaks that inhibit DNA replication and trigger apoptotic cell death. Because ongoing DNA synthesis is necessary for irinotecan to exert its cytotoxic effects, it is classified as an S-phase-specific agent. A semisynthetic camptothecin derivative that inhibits DNA TOPOISOMERASE I to prevent nucleic acid synthesis during S PHASE. It is used as an antineoplastic agent for the treatment of COLORECTAL NEOPLASMS and PANCREATIC NEOPLASMS. See also: Irinotecan (has active moiety). D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Irinotecan hydrochloride ((+)-Irinotecan hydrochloride) is a topoisomerase I inhibitor mainly used to treat colon cancer and rectal cancer[1].
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
Biflavonoid-flavone base + 3MeO and flavone base + 3MeO
Annotation level-3
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]
[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848738]
Cys Glu Trp Trp
Cys Trp Glu Trp
Cys Trp Trp Glu
Asp Tyr Tyr Tyr
Glu Cys Trp Trp
Glu Trp Cys Trp
Glu Trp Trp Cys
Phe Met Tyr Tyr
Phe Tyr Met Tyr
Phe Tyr Tyr Met
Met Phe Tyr Tyr
Met Thr Trp Trp
Met Trp Thr Trp
Met Trp Trp Thr
Met Tyr Phe Tyr
Met Tyr Tyr Phe
Thr Met Trp Trp
Thr Trp Met Trp
Thr Trp Trp Met
Trp Cys Glu Trp
Trp Cys Trp Glu
Trp Glu Cys Trp
Trp Glu Trp Cys
Trp Met Thr Trp
Trp Met Trp Thr
Trp Thr Met Trp
Trp Thr Trp Met
Trp Trp Cys Glu
Trp Trp Glu Cys
Trp Trp Met Thr
Trp Trp Thr Met
Tyr Asp Tyr Tyr
Tyr Phe Met Tyr
Tyr Phe Tyr Met
Tyr Met Phe Tyr
Tyr Met Tyr Phe
Tyr Tyr Asp Tyr
Tyr Tyr Phe Met
Tyr Tyr Met Phe
Tyr Tyr Tyr Asp
7,8-Dimethoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl 2-O-pentopyranosylhexopyranoside
1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-?-D-glucopyranoside
(3R,4S,5R,6R)-2-(dichloromethyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]imidazo[1,2-a]pyridine
2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
3-[(21S,22S)-12-(dihydroxymethyl)-11,16-bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
alpha-D-glucosyl-(1->3)-alpha-D-glucosyl-(1->3)-alpha-L-rhamnosyl-(1->3)-D-ribitol
2-[(2R,4aR,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
alpha-D-galactopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->3)-D-ribitol
alpha-D-Galp-(1->3)-alpha-D-Glcp-(1->3)-alpha-L-Rhap-(1->4)-D-ribitol
L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one
[(2s,4ar,6r,7r,8s,8ar)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-(3,4-dimethoxyphenyl)-5-methoxy-7-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
methyl 4-hydroxy-3-[4-({11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-5-yl}methyl)phenoxy]benzoate
methyl 4-hydroxy-3-(4-{[(5s)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-5-yl]methyl}phenoxy)benzoate
6-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
2-(3,4-dimethoxyphenyl)-5-methoxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one
2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-7-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl 4-hydroxybenzoate
(8r,9s,10s,11s)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate
6-{[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
3-{[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
8-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
(2r,3r,4r,5r,6s)-2-{[(1s,4ar,5s,7as)-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-5-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl (2e)-3-phenylprop-2-enoate
(1r,2s,10r,12r,13s)-12-cyano-16-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-10-[(2-oxopropanamido)methyl]-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),16,18-pentaen-19-yl 2-hydroxyacetate
4'-deoxykanokoside c
{"Ingredient_id": "HBIN010324","Ingredient_name": "4'-deoxykanokoside c","Alias": "NA","Ingredient_formula": "C27H42O16","Ingredient_Smile": "CC(C)CC(=O)OC1C2C(C3C(C2(CO)O)O3)C(=CO1)COC4C(C(CC(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O","Ingredient_weight": "622.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5185","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101219289","DrugBank_id": "NA"}