Exact Mass: 502.2620144
Exact Mass Matches: 502.2620144
Found 500 metabolites which its exact mass value is equals to given mass value 502.2620144
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Withaperuvin B
Withaperuvin B belongs to the class of organic compounds known as withanolides and derivatives. These are C28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22, and 26 to form a lactone ring. Withaperuvin B is an extremely weak basic (essentially neutral) compound (based on its pKa). Withaperuvin is found in fruits. Withaperuvin is a constituent of Physalis peruviana (Cape gooseberry). From Physalis peruviana (Cape gooseberry). Withaperuvin B is found in fruits.
4beta-Hydroxywithanolide E
4beta-Hydroxywithanolide E is found in fruits. 4beta-Hydroxywithanolide E is a constituent of Physalis peruviana (Cape gooseberry). Constituent of Physalis peruviana (Cape gooseberry). 4beta-Hydroxywithanolide E is found in fruits.
Ixocarpalactone B
Ixocarpalactone B is found in fruits. Ixocarpalactone B is a constituent of Physalis philadelphica (ixocarpa) (tomatillo) Constituent of Physalis philadelphica (ixocarpa) (tomatillo). Ixocarpalactone B is found in fruits.
28-Hydroxywithanolide E
28-Hydroxywithanolide E is found in fruits. 28-Hydroxywithanolide E is a constituent of Physalis peruviana (Cape gooseberry) Constituent of Physalis peruviana (Cape gooseberry). 28-Hydroxywithanolide E is found in fruits.
Cavipetin B
Cavipetin B is found in mushrooms. Cavipetin B is a constituent of the edible mushroom (Boletinus cavipes) Constituent of the edible mushroom (Boletinus cavipes). Cavipetin B is found in mushrooms.
Withaperuvin G
Withaperuvin G is found in fruits. Withaperuvin G is a constituent of Physalis peruviana (Cape gooseberry). Constituent of Physalis peruviana (Cape gooseberry). Withaperuvin G is found in fruits.
Withaperuvin F
Withaperuvin F is found in fruits. Withaperuvin F is a constituent of Physalis peruviana (Cape gooseberry)
7-O-Succinyl macrolactin A
2,3:5,6-Diepoxy-14,17,20-trihydroxy-1-oxowith-24-enolide
3,6-Epoxy-4,5,17,20-tetrahydroxy-1-oxowitha-14,24-dienolide
yanuthone D
A class I yanuthone that is yanuthone E in which the secondary hydroxy group has been oxidised to the corresponding ketone. It is the only one of the sixteen yanuthones described up to 2015 to display strong antimicrobial activity.
(20S,22S)-12alpha,22-epoxy-5alpha,6beta,12beta,17beta-tetrahydroxy-1-oxo-witha-2,24-dien-26,22-olide|jaborosalactone 27
amplexicoside G|amplexogenin A 3-O-beta-D-oleandropyranoside
(17S,20R,22R)-18,20-epoxy-5alpha,6beta,15alpha,18beta-tetrahydroxy-1-oxowitha-2,24-dien-26,22-olide|physaminimin C
3-O-beta-D-thevetopyranosyl-14,16:15,20:18,20-triepoxy-14,15-secopregn-4,6,8(14)triene|stauntosaponin B
1,3-dideacetylkhivorin|3alpha,7alpha-dideacetylkhivorin
14alpha,17alpha-dihydroxywithanolide R|6alpha,7alpha-epoxy-5alpha,14alpha,17alpha,23beta-tetrahydroxy-1-oxo-22S-witha-2,24-dienolide
(20R,22R,23S)-5alpha,6beta,12beta,17beta,22-pentahydroxy-1-oxo-12,23-cycloergosta-2,24-dien-26,23-olide|jaborosalactone 13
(20S,22S,23S,24S,25S,26S)-5beta,6beta,12alpha,22,23,26,24,25-tetraepoxy-12beta,17beta,26-trihydroxyergosta-2-en-1-one|jaborosalactol 24
NCI60_001790
4beta-Hydroxywithanolide E is a withanolide. 4beta-Hydroxywithanolide E is a natural product found in Physalis peruviana, Physalis viscosa, and Physalis cinerascens with data available.
C28H38O8_Methyl 3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate
Ala Ala Arg Trp
Ala Ala Trp Arg
Ala His Ile Tyr
Ala His Leu Tyr
Ala His Tyr Ile
Ala His Tyr Leu
Ala Ile His Tyr
Ala Ile Asn Trp
Ala Ile Trp Asn
Ala Ile Tyr His
Ala Leu His Tyr
Ala Leu Asn Trp
Ala Leu Trp Asn
Ala Leu Tyr His
Ala Asn Ile Trp
Ala Asn Leu Trp
Ala Asn Trp Ile
Ala Asn Trp Leu
Ala Gln Val Trp
Ala Gln Trp Val
Ala Arg Ala Trp
Ala Arg Trp Ala
Ala Val Gln Trp
Ala Val Trp Gln
Ala Trp Ala Arg
Ala Trp Ile Asn
Ala Trp Leu Asn
Ala Trp Asn Ile
Ala Trp Asn Leu
Ala Trp Gln Val
Ala Trp Arg Ala
Ala Trp Val Gln
Ala Tyr His Ile
Ala Tyr His Leu
Ala Tyr Ile His
Ala Tyr Leu His
Cys Lys Pro Arg
Cys Lys Arg Pro
Cys Pro Lys Arg
Cys Pro Arg Lys
Cys Arg Lys Pro
Cys Arg Pro Lys
Asp Gly Arg Arg
Asp Arg Gly Arg
Asp Arg Arg Gly
Glu Glu Ile Ile
C22H38N4O9 (502.26386579999996)
Glu Glu Ile Leu
C22H38N4O9 (502.26386579999996)
Glu Glu Leu Ile
C22H38N4O9 (502.26386579999996)
Glu Glu Leu Leu
C22H38N4O9 (502.26386579999996)
Glu Ile Glu Ile
C22H38N4O9 (502.26386579999996)
Glu Ile Glu Leu
C22H38N4O9 (502.26386579999996)
Glu Ile Ile Glu
C22H38N4O9 (502.26386579999996)
Glu Ile Leu Glu
C22H38N4O9 (502.26386579999996)
Glu Leu Glu Ile
C22H38N4O9 (502.26386579999996)
Glu Leu Glu Leu
C22H38N4O9 (502.26386579999996)
Glu Leu Ile Glu
C22H38N4O9 (502.26386579999996)
Glu Leu Leu Glu
C22H38N4O9 (502.26386579999996)
Phe His Ile Ser
Phe His Leu Ser
Phe His Ser Ile
Phe His Ser Leu
Phe His Thr Val
Phe His Val Thr
Phe Ile His Ser
Phe Ile Ser His
Phe Leu His Ser
Phe Leu Ser His
Phe Ser His Ile
Phe Ser His Leu
Phe Ser Ile His
Phe Ser Leu His
Phe Thr His Val
Phe Thr Val His
Phe Val His Thr
Phe Val Thr His
Gly Asp Arg Arg
Gly Ile Gln Trp
Gly Ile Trp Gln
Gly Leu Gln Trp
Gly Leu Trp Gln
Gly Gln Ile Trp
Gly Gln Leu Trp
Gly Gln Trp Ile
Gly Gln Trp Leu
Gly Arg Asp Arg
Gly Arg Arg Asp
Gly Trp Ile Gln
Gly Trp Leu Gln
Gly Trp Gln Ile
Gly Trp Gln Leu
His Ala Ile Tyr
His Ala Leu Tyr
His Ala Tyr Ile
His Ala Tyr Leu
His Phe Ile Ser
His Phe Leu Ser
His Phe Ser Ile
His Phe Ser Leu
His Phe Thr Val
His Phe Val Thr
His His Ile Pro
His His Leu Pro
His His Pro Ile
His His Pro Leu
His Ile Ala Tyr
His Ile Phe Ser
His Ile His Pro
His Ile Pro His
His Ile Ser Phe
His Ile Tyr Ala
His Leu Ala Tyr
His Leu Phe Ser
His Leu His Pro
His Leu Pro His
His Leu Ser Phe
His Leu Tyr Ala
His Pro His Ile
His Pro His Leu
His Pro Ile His
His Pro Leu His
His Ser Phe Ile
His Ser Phe Leu
His Ser Ile Phe
His Ser Leu Phe
His Thr Phe Val
His Thr Val Phe
His Val Phe Thr
His Val Thr Phe
His Tyr Ala Ile
His Tyr Ala Leu
His Tyr Ile Ala
His Tyr Leu Ala
Ile Ala His Tyr
Ile Ala Asn Trp
Ile Ala Trp Asn
Ile Ala Tyr His
Ile Glu Glu Ile
C22H38N4O9 (502.26386579999996)
Ile Glu Glu Leu
C22H38N4O9 (502.26386579999996)
Ile Glu Ile Glu
C22H38N4O9 (502.26386579999996)
Ile Glu Leu Glu
C22H38N4O9 (502.26386579999996)
Ile Phe His Ser
Ile Phe Ser His
Ile Gly Gln Trp
Ile Gly Trp Gln
Ile His Ala Tyr
Ile His Phe Ser
Ile His His Pro
Ile His Pro His
Ile His Ser Phe
Ile His Tyr Ala
Ile Ile Glu Glu
C22H38N4O9 (502.26386579999996)
Ile Leu Glu Glu
C22H38N4O9 (502.26386579999996)
Ile Asn Ala Trp
Ile Asn Trp Ala
Ile Pro His His
Ile Gln Gly Trp
Ile Gln Trp Gly
Ile Ser Phe His
Ile Ser His Phe
Ile Trp Ala Asn
Ile Trp Gly Gln
Ile Trp Asn Ala
Ile Trp Gln Gly
Ile Tyr Ala His
Ile Tyr His Ala
Lys Cys Pro Arg
Lys Cys Arg Pro
Lys Met Pro Gln
Lys Met Gln Pro
Lys Pro Cys Arg
Lys Pro Met Gln
Lys Pro Gln Met
Lys Pro Arg Cys
Lys Gln Met Pro
Lys Gln Pro Met
Lys Arg Cys Pro
Lys Arg Pro Cys
Leu Ala His Tyr
Leu Ala Asn Trp
Leu Ala Trp Asn
Leu Ala Tyr His
Leu Glu Glu Ile
C22H38N4O9 (502.26386579999996)
Leu Glu Glu Leu
C22H38N4O9 (502.26386579999996)
Leu Glu Ile Glu
C22H38N4O9 (502.26386579999996)
Leu Glu Leu Glu
C22H38N4O9 (502.26386579999996)
Leu Phe His Ser
Leu Phe Ser His
Leu Gly Gln Trp
Leu Gly Trp Gln
Leu His Ala Tyr
Leu His Phe Ser
Leu His His Pro
Leu His Pro His
Leu His Ser Phe
Leu His Tyr Ala
Leu Ile Glu Glu
C22H38N4O9 (502.26386579999996)
Leu Leu Glu Glu
C22H38N4O9 (502.26386579999996)
Leu Asn Ala Trp
Leu Asn Trp Ala
Leu Pro His His
Leu Gln Gly Trp
Leu Gln Trp Gly
Leu Ser Phe His
Leu Ser His Phe
Leu Trp Ala Asn
Leu Trp Gly Gln
Leu Trp Asn Ala
Leu Trp Gln Gly
Leu Tyr Ala His
Leu Tyr His Ala
Met Lys Pro Gln
Met Lys Gln Pro
Met Pro Lys Gln
Met Pro Gln Lys
Met Gln Lys Pro
Met Gln Pro Lys
Asn Ala Ile Trp
Asn Ala Leu Trp
Asn Ala Trp Ile
Asn Ala Trp Leu
Asn Ile Ala Trp
Asn Ile Trp Ala
Asn Leu Ala Trp
Asn Leu Trp Ala
Asn Trp Ala Ile
Asn Trp Ala Leu
Asn Trp Ile Ala
Asn Trp Leu Ala
Pro Cys Lys Arg
Pro Cys Arg Lys
Pro His His Ile
Pro His His Leu
Pro His Ile His
Pro His Leu His
Pro Ile His His
Pro Lys Cys Arg
Pro Lys Met Gln
Pro Lys Gln Met
Pro Lys Arg Cys
Pro Leu His His
Pro Met Lys Gln
Pro Met Gln Lys
Pro Gln Lys Met
Pro Gln Met Lys
Pro Arg Cys Lys
Pro Arg Lys Cys
Gln Ala Val Trp
Gln Ala Trp Val
Gln Gly Ile Trp
Gln Gly Leu Trp
Gln Gly Trp Ile
Gln Gly Trp Leu
Gln Ile Gly Trp
Gln Ile Trp Gly
Gln Lys Met Pro
Gln Lys Pro Met
Gln Leu Gly Trp
Gln Leu Trp Gly
Gln Met Lys Pro
Gln Met Pro Lys
Gln Pro Lys Met
Gln Pro Met Lys
Gln Val Ala Trp
Gln Val Trp Ala
Gln Trp Ala Val
Gln Trp Gly Ile
Gln Trp Gly Leu
Gln Trp Ile Gly
Gln Trp Leu Gly
Gln Trp Val Ala
Arg Ala Ala Trp
Arg Ala Trp Ala
Arg Cys Lys Pro
Arg Cys Pro Lys
Arg Asp Gly Arg
Arg Asp Arg Gly
Arg Gly Asp Arg
Arg Gly Arg Asp
Arg Lys Cys Pro
Arg Lys Pro Cys
Arg Pro Cys Lys
Arg Pro Lys Cys
Arg Arg Asp Gly
Arg Arg Gly Asp
Arg Trp Ala Ala
Ser Phe His Ile
Ser Phe His Leu
Ser Phe Ile His
Ser Phe Leu His
Ser His Phe Ile
Ser His Phe Leu
Ser His Ile Phe
Ser His Leu Phe
Ser Ile Phe His
Ser Ile His Phe
Ser Leu Phe His
Ser Leu His Phe
Thr Phe His Val
Thr Phe Val His
Thr His Phe Val
Thr His Val Phe
Thr Val Phe His
Thr Val His Phe
Val Ala Gln Trp
Val Ala Trp Gln
Val Phe His Thr
Val Phe Thr His
Val His Phe Thr
Val His Thr Phe
Val Gln Ala Trp
Val Gln Trp Ala
Val Thr Phe His
Val Thr His Phe
Val Trp Ala Gln
Val Trp Gln Ala
Trp Ala Ala Arg
Trp Ala Ile Asn
Trp Ala Leu Asn
Trp Ala Asn Ile
Trp Ala Asn Leu
Trp Ala Gln Val
Trp Ala Arg Ala
Trp Ala Val Gln
Trp Gly Ile Gln
Trp Gly Leu Gln
Trp Gly Gln Ile
Trp Gly Gln Leu
Trp Ile Ala Asn
Trp Ile Gly Gln
Trp Ile Asn Ala
Trp Ile Gln Gly
Trp Leu Ala Asn
Trp Leu Gly Gln
Trp Leu Asn Ala
Trp Leu Gln Gly
Trp Asn Ala Ile
Trp Asn Ala Leu
Trp Asn Ile Ala
Trp Asn Leu Ala
Trp Gln Ala Val
Trp Gln Gly Ile
Trp Gln Gly Leu
Trp Gln Ile Gly
Trp Arg Ala Ala
Cavipetin B
28-Hydroxywithanolide E
Withaperuvin G
4b-Hydroxywithanolide e
Ixocarpalactone B
Withaperuvin F
Withaperuvin B
Withalongolide C
[2S,3S,5S]-2-Amino-3-hydroxy-5-tert-butyloxycarbonylamino-1,6-diphenylhexane succinate salt
1,4-bis [(1-methyl-3-phenylpropyl)amino]-9,10-anthracenedione
Ergosta-2,14,24-trien-26-oic acid, 4,5,6,17,20,22-hexahydroxy-1-oxo-, delta-lactone, (4beta,5beta,6alpha,17alpha,22R)-
4-[[(3E,5E,9E,11Z,17E,19E)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxobutanoic acid
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
5-({(1S,6R)-2,5-dioxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
C29H34N4O4 (502.25799240000003)
[O-[1-O,2-O-Bis(1-oxo-2,4-octadienyl)-L-glycero-3-phospho]choline]anion
C24H41NO8P+ (502.25696560000006)
(1-acetyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(3ar,3bs,5ar,7s,9as,9br,11ar)-7-(acetyloxy)-1-hydroxy-3a-(methoxycarbonyl)-2,3b,6,6,11,11a-hexamethyl-3-oxo-4h,5h,5ah,7h,8h,9h,9bh-cyclopenta[a]phenanthrene-9a-carboxylic acid
(1s,2s,4r,5r,10r,11s,13s,15s,16s,17r,20s)-4,5,13,17-tetrahydroxy-4',5',10,16,20-pentamethyl-3'h-14-oxaspiro[pentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosane-15,2'-pyra]-7-ene-6',9-dione
(1s,2r,4s,7r,8s,11r,12s,13s,15r,17s,19r)-7-(furan-3-yl)-15,19-dihydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-13-yl acetate
(9r,10r,11r)-11-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl (2s)-2-methylbutanoate
8-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-9,11,13-trien-7-ol
4-[(14-hydroxy-24-methyl-2,16-dioxo-1-oxacyclotetracosa-3,5,9,11,19-pentaen-8-yl)oxy]-4-oxobutanoic acid
(2ar,3r,4r,5s,5ar,6as,6br,10ar,11r,12as,12bs,12cs)-2a,4,5a,10a,11-pentahydroxy-3,3',4',6b,12c-pentamethyl-2,3,4,6,6a,10,11,12,12a,12b-decahydro-1h-spiro[cyclohexa[j]aceanthrylene-5,2'-furan]-5',7-dione
(1s,2s,4r,5r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,5,13,17-tetrahydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icos-7-en-9-one
(2e)-4-{[(2e,10e,14e)-16-{[(2e)-3-carboxyprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}-4-oxobut-2-enoic acid
anticancer withanolide pmv70p691-046
{"Ingredient_id": "HBIN016368","Ingredient_name": "anticancer withanolide pmv70p691-046","Alias": "NA","Ingredient_formula": "C28H38O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1452","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}