Exact Mass: 502.2685738
Exact Mass Matches: 502.2685738
Found 500 metabolites which its exact mass value is equals to given mass value 502.2685738
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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
1-(N(Sup alpha)-Dansyl-L-arginyl)-4-ethylpiperidine
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
Ile Lys Gln Asp
C21H38N6O8 (502.27509879999997)
Lys Ile Asn Glu
C21H38N6O8 (502.27509879999997)
Asn Glu Ile Lys
C21H38N6O8 (502.27509879999997)
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
SB413217A
C30H35FN4O2 (502.27439019999997)
CONFIDENCE standard compound; INTERNAL_ID 143; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7935; ORIGINAL_PRECURSOR_SCAN_NO 7933 CONFIDENCE standard compound; INTERNAL_ID 143; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7922; ORIGINAL_PRECURSOR_SCAN_NO 7921 CONFIDENCE standard compound; INTERNAL_ID 143; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7940; ORIGINAL_PRECURSOR_SCAN_NO 7938 INTERNAL_ID 143; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7965; ORIGINAL_PRECURSOR_SCAN_NO 7963 CONFIDENCE standard compound; INTERNAL_ID 143; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7965; ORIGINAL_PRECURSOR_SCAN_NO 7963 CONFIDENCE standard compound; INTERNAL_ID 143; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7977; ORIGINAL_PRECURSOR_SCAN_NO 7974 CONFIDENCE standard compound; INTERNAL_ID 143; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7946; ORIGINAL_PRECURSOR_SCAN_NO 7944 INTERNAL_ID 143; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7946; ORIGINAL_PRECURSOR_SCAN_NO 7944
Ala Ala Arg Trp
Ala Ala Trp Arg
Ala Arg Ala Trp
Ala Arg Trp Ala
Ala Trp Ala Arg
Ala Trp Arg Ala
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 Ile Lys Gln
C21H38N6O8 (502.27509879999997)
Asp Ile Gln Lys
C21H38N6O8 (502.27509879999997)
Asp Lys Ile Gln
C21H38N6O8 (502.27509879999997)
Asp Lys Leu Gln
C21H38N6O8 (502.27509879999997)
Asp Lys Gln Ile
C21H38N6O8 (502.27509879999997)
Asp Lys Gln Leu
C21H38N6O8 (502.27509879999997)
Asp Leu Lys Gln
C21H38N6O8 (502.27509879999997)
Asp Leu Gln Lys
C21H38N6O8 (502.27509879999997)
Asp Gln Ile Lys
C21H38N6O8 (502.27509879999997)
Asp Gln Lys Ile
C21H38N6O8 (502.27509879999997)
Asp Gln Lys Leu
C21H38N6O8 (502.27509879999997)
Asp Gln Leu Lys
C21H38N6O8 (502.27509879999997)
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 Lys Asn
C21H38N6O8 (502.27509879999997)
Glu Ile Leu Glu
C22H38N4O9 (502.26386579999996)
Glu Ile Asn Lys
C21H38N6O8 (502.27509879999997)
Glu Lys Ile Asn
C21H38N6O8 (502.27509879999997)
Glu Lys Leu Asn
C21H38N6O8 (502.27509879999997)
Glu Lys Asn Ile
C21H38N6O8 (502.27509879999997)
Glu Lys Asn Leu
C21H38N6O8 (502.27509879999997)
Glu Lys Gln Val
C21H38N6O8 (502.27509879999997)
Glu Lys Val Gln
C21H38N6O8 (502.27509879999997)
Glu Leu Glu Ile
C22H38N4O9 (502.26386579999996)
Glu Leu Glu Leu
C22H38N4O9 (502.26386579999996)
Glu Leu Ile Glu
C22H38N4O9 (502.26386579999996)
Glu Leu Lys Asn
C21H38N6O8 (502.27509879999997)
Glu Leu Leu Glu
C22H38N4O9 (502.26386579999996)
Glu Leu Asn Lys
C21H38N6O8 (502.27509879999997)
Glu Asn Ile Lys
C21H38N6O8 (502.27509879999997)
Glu Asn Lys Ile
C21H38N6O8 (502.27509879999997)
Glu Asn Lys Leu
C21H38N6O8 (502.27509879999997)
Glu Asn Leu Lys
C21H38N6O8 (502.27509879999997)
Glu Gln Lys Val
C21H38N6O8 (502.27509879999997)
Glu Gln Val Lys
C21H38N6O8 (502.27509879999997)
Glu Val Lys Gln
C21H38N6O8 (502.27509879999997)
Glu Val Gln Lys
C21H38N6O8 (502.27509879999997)
Gly Asp Arg Arg
Gly Arg Asp Arg
Gly Arg Arg Asp
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 Asp Lys Gln
C21H38N6O8 (502.27509879999997)
Ile Asp Gln Lys
C21H38N6O8 (502.27509879999997)
Ile Glu Glu Ile
C22H38N4O9 (502.26386579999996)
Ile Glu Glu Leu
C22H38N4O9 (502.26386579999996)
Ile Glu Ile Glu
C22H38N4O9 (502.26386579999996)
Ile Glu Lys Asn
C21H38N6O8 (502.27509879999997)
Ile Glu Leu Glu
C22H38N4O9 (502.26386579999996)
Ile Glu Asn Lys
C21H38N6O8 (502.27509879999997)
Ile Phe His Ser
Ile Phe Ser His
Ile Gly Gln Trp
Ile Gly Trp Gln
Ile His Ala Tyr
Ile His His Pro
Ile His Pro His
Ile Ile Glu Glu
C22H38N4O9 (502.26386579999996)
Ile Lys Asp Gln
C21H38N6O8 (502.27509879999997)
Ile Lys Glu Asn
C21H38N6O8 (502.27509879999997)
Ile Lys Asn Glu
C21H38N6O8 (502.27509879999997)
Ile Leu Glu Glu
C22H38N4O9 (502.26386579999996)
Ile Asn Glu Lys
C21H38N6O8 (502.27509879999997)
Ile Asn Lys Glu
C21H38N6O8 (502.27509879999997)
Ile Pro His His
Ile Gln Asp Lys
C21H38N6O8 (502.27509879999997)
Ile Gln Lys Asp
C21H38N6O8 (502.27509879999997)
Lys Cys Pro Arg
Lys Cys Arg Pro
Lys Asp Ile Gln
C21H38N6O8 (502.27509879999997)
Lys Asp Leu Gln
C21H38N6O8 (502.27509879999997)
Lys Asp Gln Ile
C21H38N6O8 (502.27509879999997)
Lys Asp Gln Leu
C21H38N6O8 (502.27509879999997)
Lys Glu Ile Asn
C21H38N6O8 (502.27509879999997)
Lys Glu Leu Asn
C21H38N6O8 (502.27509879999997)
Lys Glu Asn Ile
C21H38N6O8 (502.27509879999997)
Lys Glu Asn Leu
C21H38N6O8 (502.27509879999997)
Lys Glu Gln Val
C21H38N6O8 (502.27509879999997)
Lys Glu Val Gln
C21H38N6O8 (502.27509879999997)
Lys Ile Asp Gln
C21H38N6O8 (502.27509879999997)
Lys Ile Glu Asn
C21H38N6O8 (502.27509879999997)
Lys Ile Gln Asp
C21H38N6O8 (502.27509879999997)
Lys Leu Asp Gln
C21H38N6O8 (502.27509879999997)
Lys Leu Glu Asn
C21H38N6O8 (502.27509879999997)
Lys Leu Asn Glu
C21H38N6O8 (502.27509879999997)
Lys Leu Gln Asp
C21H38N6O8 (502.27509879999997)
Lys Met Pro Gln
Lys Met Gln Pro
Lys Asn Glu Ile
C21H38N6O8 (502.27509879999997)
Lys Asn Glu Leu
C21H38N6O8 (502.27509879999997)
Lys Asn Ile Glu
C21H38N6O8 (502.27509879999997)
Lys Asn Leu Glu
C21H38N6O8 (502.27509879999997)
Lys Pro Cys Arg
Lys Pro Met Gln
Lys Pro Gln Met
Lys Pro Arg Cys
Lys Gln Asp Ile
C21H38N6O8 (502.27509879999997)
Lys Gln Asp Leu
C21H38N6O8 (502.27509879999997)
Lys Gln Glu Val
C21H38N6O8 (502.27509879999997)
Lys Gln Ile Asp
C21H38N6O8 (502.27509879999997)
Lys Gln Leu Asp
C21H38N6O8 (502.27509879999997)
Lys Gln Met Pro
Lys Gln Pro Met
Lys Gln Val Glu
C21H38N6O8 (502.27509879999997)
Lys Arg Cys Pro
Lys Arg Pro Cys
Lys Val Glu Gln
C21H38N6O8 (502.27509879999997)
Lys Val Gln Glu
C21H38N6O8 (502.27509879999997)
Leu Asp Lys Gln
C21H38N6O8 (502.27509879999997)
Leu Asp Gln Lys
C21H38N6O8 (502.27509879999997)
Leu Glu Glu Ile
C22H38N4O9 (502.26386579999996)
Leu Glu Glu Leu
C22H38N4O9 (502.26386579999996)
Leu Glu Ile Glu
C22H38N4O9 (502.26386579999996)
Leu Glu Lys Asn
C21H38N6O8 (502.27509879999997)
Leu Glu Leu Glu
C22H38N4O9 (502.26386579999996)
Leu Glu Asn Lys
C21H38N6O8 (502.27509879999997)
Leu His His Pro
Leu His Pro His
Leu Ile Glu Glu
C22H38N4O9 (502.26386579999996)
Leu Lys Asp Gln
C21H38N6O8 (502.27509879999997)
Leu Lys Glu Asn
C21H38N6O8 (502.27509879999997)
Leu Lys Asn Glu
C21H38N6O8 (502.27509879999997)
Leu Lys Gln Asp
C21H38N6O8 (502.27509879999997)
Leu Leu Glu Glu
C22H38N4O9 (502.26386579999996)
Leu Asn Glu Lys
C21H38N6O8 (502.27509879999997)
Leu Asn Lys Glu
C21H38N6O8 (502.27509879999997)
Leu Pro His His
Leu Gln Asp Lys
C21H38N6O8 (502.27509879999997)
Leu Gln Lys Asp
C21H38N6O8 (502.27509879999997)
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 Glu Lys Ile
C21H38N6O8 (502.27509879999997)
Asn Glu Lys Leu
C21H38N6O8 (502.27509879999997)
Asn Glu Leu Lys
C21H38N6O8 (502.27509879999997)
Asn Ile Glu Lys
C21H38N6O8 (502.27509879999997)
Asn Ile Lys Glu
C21H38N6O8 (502.27509879999997)
Asn Lys Glu Ile
C21H38N6O8 (502.27509879999997)
Asn Lys Glu Leu
C21H38N6O8 (502.27509879999997)
Asn Lys Ile Glu
C21H38N6O8 (502.27509879999997)
Asn Lys Leu Glu
C21H38N6O8 (502.27509879999997)
Asn Leu Glu Lys
C21H38N6O8 (502.27509879999997)
Asn Leu Lys Glu
C21H38N6O8 (502.27509879999997)
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 Asp Ile Lys
C21H38N6O8 (502.27509879999997)
Gln Asp Lys Ile
C21H38N6O8 (502.27509879999997)
Gln Asp Lys Leu
C21H38N6O8 (502.27509879999997)
Gln Asp Leu Lys
C21H38N6O8 (502.27509879999997)
Gln Glu Lys Val
C21H38N6O8 (502.27509879999997)
Gln Glu Val Lys
C21H38N6O8 (502.27509879999997)
Gln Ile Asp Lys
C21H38N6O8 (502.27509879999997)
Gln Ile Lys Asp
C21H38N6O8 (502.27509879999997)
Gln Lys Asp Ile
C21H38N6O8 (502.27509879999997)
Gln Lys Asp Leu
C21H38N6O8 (502.27509879999997)
Gln Lys Glu Val
C21H38N6O8 (502.27509879999997)
Gln Lys Ile Asp
C21H38N6O8 (502.27509879999997)
Gln Lys Leu Asp
C21H38N6O8 (502.27509879999997)
Gln Lys Met Pro
Gln Lys Pro Met
Gln Lys Val Glu
C21H38N6O8 (502.27509879999997)
Gln Leu Asp Lys
C21H38N6O8 (502.27509879999997)
Gln Leu Lys Asp
C21H38N6O8 (502.27509879999997)
Gln Met Lys Pro
Gln Met Pro Lys
Gln Pro Lys Met
Gln Pro Met Lys
Gln Val Glu Lys
C21H38N6O8 (502.27509879999997)
Gln Val Lys Glu
C21H38N6O8 (502.27509879999997)
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
Val Ala Trp Gln
Val Glu Lys Gln
C21H38N6O8 (502.27509879999997)
Val Glu Gln Lys
C21H38N6O8 (502.27509879999997)
Val Phe His Thr
Val Phe Thr His
Val His Thr Phe
Val Lys Glu Gln
C21H38N6O8 (502.27509879999997)
Val Lys Gln Glu
C21H38N6O8 (502.27509879999997)
Val Gln Ala Trp
Val Gln Glu Lys
C21H38N6O8 (502.27509879999997)
Val Gln Lys Glu
C21H38N6O8 (502.27509879999997)
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 Arg Ala
Trp Ile Asn Ala
Trp Ile Gln Gly
Trp Leu Ala Asn
Trp Leu Gly Gln
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 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
7-Cyclopentyl-N,N-dimethyl-2-[[5-[(1R,6S)-9-methyl-4-oxo-3,9-diazabicyclo[4.2.1]non-3-yl]-2-pyridinyl]amino]-7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide
1-(N(Sup alpha)-Dansyl-L-arginyl)-4-ethylpiperidine
(2E)-3-(4-fluorophenyl)-N-(4-{2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]ethyl}cyclohexyl)prop-2-enamide
C30H35FN4O2 (502.27439019999997)
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)
(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-10-[[(3-methoxyphenyl)methyl-methylamino]methyl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-10-[[(3-methoxyphenyl)methyl-methylamino]methyl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-10-[[(3-methoxyphenyl)methyl-methylamino]methyl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-10-[[(2-methoxyphenyl)methyl-methylamino]methyl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-10-[[(2-methoxyphenyl)methyl-methylamino]methyl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
[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
(1r,3s,5r,7s,8s)-1-benzoyl-6,6-dimethyl-3,5-bis(3-methylbut-2-en-1-yl)-8-(2-oxopropyl)adamantane-2,4,9-trione
(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
1-(1-{2-[(3-amino-1,2-dihydroxy-4-phenylbutylidene)amino]-4-methylpentanoyl}pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
(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"}