Exact Mass: 560.2655044
Exact Mass Matches: 560.2655044
Found 500 metabolites which its exact mass value is equals to given mass value 560.2655044
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
geldanamycin
A 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. it is an ansamycin antibiotic and thus shows antimicrobial activity against many gram-positive and some gram-negative bacteria. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents Geldanamycin is a Hsp90 inhibitor with antimicrobial activity against many Gram-positive and some Gram-negative bacteria. Geldanamycin has anti-influenza virus H5N1 activities.
geldanamycin
Cyclo((2R)-2-aminobutanoyl-N2-methyl-L-arginylglycyl-L-alpha-aspartyl-3-(aminomethyl)benzoyl)
Entrectinib
C31H34F2N6O2 (560.2711168000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
12-Oxo-2beta-O-acetyl-3beta-O-isobutyryl-5beta,11alpha-dihydroxybufalin
14,15-dihydroxycadinene 14,15-di-O-beta-D-glucopyranoside|dendronobiloside D
11alpha-hydroxy-scilliglaucosidin-3-O-alpha-L-rhamnoside
Scilliglaucosidin-alpha-D-glucosid, Scilliglaucosid
(4S,5R,10S)-2,11,15-trihydroxy-7-drimene-15-O-(3-hydroxy-3-methylglutaryl)-11-O-beta-D-glucopyranoside|saxifragoside B
12-oxo-hellebrigenin-3-O-4,6-dideoxy-alpha-L-ribohexopyranoside|kalanchoside C
11,15-dihydroxycadinene 11,15-di-O-beta-D-glucopyranoside|dendronobiloside C
20-hydroxyecdysone 22-phosphate
C27H45O10P (560.2750199999999)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Tyr His Ile Glu
His Asn Tyr Lys
Ala Glu Arg Trp
Ala Glu Trp Arg
Ala Arg Glu Trp
Ala Arg Trp Glu
Ala Val Trp Trp
Ala Trp Glu Arg
Ala Trp Arg Glu
Ala Trp Val Trp
Ala Trp Trp Val
Cys Pro Arg Trp
Cys Pro Trp Arg
Cys Arg Pro Trp
Cys Arg Trp Pro
Cys Trp Pro Arg
Cys Trp Arg Pro
Asp Asp Arg Arg
Asp Ile Gln Trp
Asp Ile Trp Gln
Asp Leu Gln Trp
Asp Leu Trp Gln
Asp Gln Ile Trp
Asp Gln Leu Trp
Asp Gln Trp Ile
Asp Gln Trp Leu
Asp Arg Asp Arg
Asp Arg Arg Asp
Asp Trp Ile Gln
Asp Trp Leu Gln
Asp Trp Gln Ile
Asp Trp Gln Leu
Glu Ala Arg Trp
Glu Ala Trp Arg
Glu Glu Gln Arg
Glu Glu Arg Gln
Glu His Ile Tyr
Glu His Leu Tyr
Glu His Tyr Ile
Glu His Tyr Leu
Glu Ile His Tyr
Glu Ile Asn Trp
Glu Ile Trp Asn
Glu Ile Tyr His
Glu Leu His Tyr
Glu Leu Asn Trp
Glu Leu Trp Asn
Glu Leu Tyr His
Glu Asn Ile Trp
Glu Asn Leu Trp
Glu Asn Trp Ile
Glu Asn Trp Leu
Glu Gln Glu Arg
Glu Gln Arg Glu
Glu Gln Val Trp
Glu Gln Trp Val
Glu Arg Ala Trp
Glu Arg Glu Gln
Glu Arg Gln Glu
Glu Arg Trp Ala
Glu Val Gln Trp
Glu Val Trp Gln
Glu Trp Ala Arg
Glu Trp Ile Asn
Glu Trp Leu Asn
Glu Trp Asn Ile
Glu Trp Asn Leu
Glu Trp Gln Val
Glu Trp Arg Ala
Glu Trp Val Gln
Glu Tyr His Ile
Glu Tyr His Leu
Glu Tyr Ile His
Glu Tyr Leu His
Phe Phe Phe Thr
Phe Phe Thr Phe
Phe Thr Phe Phe
Gly Ile Trp Trp
Gly Leu Trp Trp
Gly Trp Ile Trp
Gly Trp Leu Trp
Gly Trp Trp Ile
Gly Trp Trp Leu
His Glu Ile Tyr
His Glu Leu Tyr
His Glu Tyr Ile
His Glu Tyr Leu
His Ile Glu Tyr
His Ile Tyr Glu
His Lys Asn Tyr
His Lys Tyr Asn
His Leu Glu Tyr
His Leu Tyr Glu
His Asn Lys Tyr
His Tyr Glu Ile
His Tyr Glu Leu
His Tyr Ile Glu
His Tyr Lys Asn
His Tyr Leu Glu
His Tyr Asn Lys
Ile Asp Gln Trp
Ile Asp Trp Gln
Ile Glu His Tyr
Ile Glu Asn Trp
Ile Glu Trp Asn
Ile Glu Tyr His
Ile Gly Trp Trp
Ile His Glu Tyr
Ile His Tyr Glu
Ile Asn Glu Trp
Ile Asn Trp Glu
Ile Gln Asp Trp
Ile Gln Trp Asp
Ile Trp Asp Gln
Ile Trp Glu Asn
Ile Trp Gly Trp
Ile Trp Asn Glu
Ile Trp Gln Asp
Ile Trp Trp Gly
Ile Tyr Glu His
Ile Tyr His Glu
Lys His Asn Tyr
Lys His Tyr Asn
Lys Met Pro Trp
C27H40N6O5S (560.2780750000001)
Lys Met Trp Pro
C27H40N6O5S (560.2780750000001)
Lys Asn His Tyr
Lys Asn Asn Trp
Lys Asn Trp Asn
Lys Asn Tyr His
Lys Pro Met Trp
C27H40N6O5S (560.2780750000001)
Lys Pro Trp Met
C27H40N6O5S (560.2780750000001)
Lys Trp Met Pro
C27H40N6O5S (560.2780750000001)
Lys Trp Asn Asn
Lys Trp Pro Met
C27H40N6O5S (560.2780750000001)
Lys Tyr His Asn
Lys Tyr Asn His
Leu Asp Gln Trp
Leu Asp Trp Gln
Leu Glu His Tyr
Leu Glu Asn Trp
Leu Glu Trp Asn
Leu Glu Tyr His
Leu Gly Trp Trp
Leu His Glu Tyr
Leu His Tyr Glu
Leu Asn Glu Trp
Leu Asn Trp Glu
Leu Gln Asp Trp
Leu Gln Trp Asp
Leu Trp Asp Gln
Leu Trp Glu Asn
Leu Trp Gly Trp
Leu Trp Asn Glu
Leu Trp Gln Asp
Leu Trp Trp Gly
Leu Tyr Glu His
Leu Tyr His Glu
Met Lys Pro Trp
C27H40N6O5S (560.2780750000001)
Met Lys Trp Pro
C27H40N6O5S (560.2780750000001)
Met Pro Lys Trp
C27H40N6O5S (560.2780750000001)
Met Pro Trp Lys
C27H40N6O5S (560.2780750000001)
Met Trp Lys Pro
C27H40N6O5S (560.2780750000001)
Met Trp Pro Lys
C27H40N6O5S (560.2780750000001)
Asn Glu Ile Trp
Asn Glu Leu Trp
Asn Glu Trp Ile
Asn Glu Trp Leu
Asn His Lys Tyr
Asn His Tyr Lys
Asn Ile Glu Trp
Asn Ile Trp Glu
Asn Lys His Tyr
Asn Lys Asn Trp
Asn Lys Trp Asn
Asn Lys Tyr His
Asn Leu Glu Trp
Asn Leu Trp Glu
Asn Asn Lys Trp
Asn Asn Trp Lys
Asn Trp Glu Ile
Asn Trp Glu Leu
Asn Trp Ile Glu
Asn Trp Lys Asn
Asn Trp Leu Glu
Asn Trp Asn Lys
Asn Tyr His Lys
Asn Tyr Lys His
Pro Cys Arg Trp
Pro Cys Trp Arg
Pro Lys Met Trp
C27H40N6O5S (560.2780750000001)
Pro Lys Trp Met
C27H40N6O5S (560.2780750000001)
Pro Met Lys Trp
C27H40N6O5S (560.2780750000001)
Pro Met Trp Lys
C27H40N6O5S (560.2780750000001)
Pro Arg Cys Trp
Pro Arg Trp Cys
Pro Trp Cys Arg
Pro Trp Lys Met
C27H40N6O5S (560.2780750000001)
Pro Trp Met Lys
C27H40N6O5S (560.2780750000001)
Pro Trp Arg Cys
Gln Asp Ile Trp
Gln Asp Leu Trp
Gln Asp Trp Ile
Gln Asp Trp Leu
Gln Glu Glu Arg
Gln Glu Arg Glu
Gln Glu Val Trp
Gln Glu Trp Val
Gln Ile Asp Trp
Gln Ile Trp Asp
Gln Leu Asp Trp
Gln Leu Trp Asp
Gln Arg Glu Glu
Gln Val Glu Trp
Gln Val Trp Glu
Gln Trp Asp Ile
Gln Trp Asp Leu
Gln Trp Glu Val
Gln Trp Ile Asp
Gln Trp Leu Asp
Gln Trp Val Glu
Arg Ala Glu Trp
Arg Ala Trp Glu
Arg Cys Pro Trp
Arg Cys Trp Pro
Arg Asp Asp Arg
Arg Asp Arg Asp
Arg Glu Ala Trp
Arg Glu Glu Gln
Arg Glu Gln Glu
Arg Glu Trp Ala
Arg Pro Cys Trp
Arg Pro Trp Cys
Arg Gln Glu Glu
Arg Arg Asp Asp
Arg Trp Ala Glu
Arg Trp Cys Pro
Arg Trp Glu Ala
Arg Trp Pro Cys
Thr Phe Phe Phe
Val Ala Trp Trp
Val Glu Gln Trp
Val Glu Trp Gln
Val Gln Glu Trp
Val Gln Trp Glu
Val Trp Ala Trp
Val Trp Glu Gln
Val Trp Gln Glu
Val Trp Trp Ala
Trp Ala Glu Arg
Trp Ala Arg Glu
Trp Ala Val Trp
Trp Ala Trp Val
Trp Cys Pro Arg
Trp Cys Arg Pro
Trp Asp Ile Gln
Trp Asp Leu Gln
Trp Asp Gln Ile
Trp Asp Gln Leu
Trp Glu Ala Arg
Trp Glu Ile Asn
Trp Glu Leu Asn
Trp Glu Asn Ile
Trp Glu Asn Leu
Trp Glu Gln Val
Trp Glu Arg Ala
Trp Glu Val Gln
Trp Gly Ile Trp
Trp Gly Leu Trp
Trp Gly Trp Ile
Trp Gly Trp Leu
Trp Ile Asp Gln
Trp Ile Glu Asn
Trp Ile Gly Trp
Trp Ile Asn Glu
Trp Ile Gln Asp
Trp Ile Trp Gly
Trp Lys Met Pro
C27H40N6O5S (560.2780750000001)
Trp Lys Asn Asn
Trp Lys Pro Met
C27H40N6O5S (560.2780750000001)
Trp Leu Asp Gln
Trp Leu Glu Asn
Trp Leu Gly Trp
Trp Leu Asn Glu
Trp Leu Gln Asp
Trp Leu Trp Gly
Trp Met Lys Pro
C27H40N6O5S (560.2780750000001)
Trp Met Pro Lys
C27H40N6O5S (560.2780750000001)
Trp Asn Glu Ile
Trp Asn Glu Leu
Trp Asn Ile Glu
Trp Asn Lys Asn
Trp Asn Leu Glu
Trp Asn Asn Lys
Trp Pro Cys Arg
Trp Pro Lys Met
C27H40N6O5S (560.2780750000001)
Trp Pro Met Lys
C27H40N6O5S (560.2780750000001)
Trp Pro Arg Cys
Trp Gln Asp Ile
Trp Gln Asp Leu
Trp Gln Glu Val
Trp Gln Ile Asp
Trp Gln Leu Asp
Trp Gln Val Glu
Trp Arg Ala Glu
Trp Arg Cys Pro
Trp Arg Glu Ala
Trp Arg Pro Cys
Trp Val Ala Trp
Trp Val Glu Gln
Trp Val Gln Glu
Trp Val Trp Ala
Trp Trp Ala Val
Trp Trp Gly Ile
Trp Trp Gly Leu
Trp Trp Ile Gly
Trp Trp Leu Gly
Trp Trp Val Ala
Tyr Glu His Ile
Tyr Glu His Leu
Tyr Glu Ile His
Tyr Glu Leu His
Tyr His Glu Ile
Tyr His Glu Leu
Tyr His Lys Asn
Tyr His Leu Glu
Tyr His Asn Lys
Tyr Ile Glu His
Tyr Ile His Glu
Tyr Lys His Asn
Tyr Lys Asn His
Tyr Leu Glu His
Tyr Leu His Glu
Tyr Asn His Lys
Tyr Asn Lys His
Carbamic acid, 1,6-hexanediylbis-, bis(9H-fluoren-9-ylmethyl) ester
butane-1,4-diol,2-(2-hydroxyethoxy)ethanol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene,oxepan-2-one
N-s-butyl-N-[(2R,3S)-3-({[(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]-4-(hydroxymethyl)benzenesulfonamide
3-[(3-Sec-butyl-4-hydroxybenzoyl)amino]azepan-4-YL 4-(2-hydroxy-5-methoxybenzoyl)benzoate
Entrectinib
C31H34F2N6O2 (560.2711168000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Cyclo((2R)-2-aminobutanoyl-N2-methyl-L-arginylglycyl-L-alpha-aspartyl-3-(aminomethyl)benzoyl)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
[(4Z,6E,10E)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
7-Methoxydeoxymorellin
An organic heterohexacyclic compound that is deoxymorellin substituted by a methoxy group at position 7. Isolated from Garcinia hanburyi, it exhibits cytotoxic activity.
7-Amino-1-(5-nitro-2-furyl)-1,8-dioxo-11,14,17,20,23-pentaoxa-2-azahexacosan-26-amide
(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
[(1S)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-(3-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
N-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
[(1R)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-(3-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
C27H45O10P (560.2750199999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
C27H45O10P (560.2750199999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
C27H45O10P (560.2750199999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
C27H45O10P (560.2750199999999)
9-hydroxy-9-({[2-(hydroxymethyl)-3-(5-isopropyl-3-oxo-4,5,6,7-tetrahydro-1h-2-benzofuran-4-yl)prop-2-enoyl]oxy}methyl)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
(1r,3as,3bs,7r,9as,9bs,11ar)-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
10,17,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-16-one
{[(4e,6z,8r,9r,10e,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid
(1r,3r,5s,6r,8r,10s,12r,14s,18r,19r,22s,23r)-5,16,22-trihydroxy-6-methoxy-8,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-15-en-17-one
4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-hydroxy-3,6,10-trimethyl-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(3r,5s,7r,9s,10s,12r,14r,15s,16s,18r,19r,22s,23r)-10,16,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-17-one
{[(4z,6z,8s,9s,10z,12s,13r,14s,16r)-19-formyl-3,13,20,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18(22),19-heptaen-9-yl]oxy}methanimidic acid
aspidistrogenin a
{"Ingredient_id": "HBIN017151","Ingredient_name": "aspidistrogenin a","Alias": "NA","Ingredient_formula": "C27H44O10S","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6(C5(C(C(C(C6O)O)OS(=O)(=O)O)O)C)O)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1899","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
{[(4e,6z,8r,9r,10e,12r,13s,14r,16r)-3,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid
(3r,5s,7r,9r,10s,12r,14r,15r,17s,18s,19r,22s,23s)-10,17,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-16-one
{[(4e,6z,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid
3-hydroxy-2-[(1-hydroxy-2,14-dimethyl-15-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-(c-hydroxycarbonimidoyl)propanoic acid
2-(hydroxymethyl)-6-{[6-methyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy}oxane-3,4,5-triol
{[(4z,6z,8s,9s,10z,12s,13r,14s,16r)-3,13-dihydroxy-19-(hydroxymethyl)-8,14-dimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid
methyl 6,15-bis(acetyloxy)-8-hydroxy-4,5,7,10,14,14-hexamethyl-18-oxo-19,20-dioxahexacyclo[10.5.2.1⁴,⁷.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-2-ene-9-carboxylate
(1r,3as,3br,7s,9as,9bs,11ar)-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
methyl (2r,4as,4br,5r,6r,6ar,10ar,10br,12ar)-5,6-bis(acetyloxy)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-octahydrophenanthro[1,2-c]pyran-2-carboxylate
(1s,4r,8r,9s,13r,14s,17r,18s)-18-{[(3r)-2,3-dihydroxyindol-3-yl]methyl}-6,14,20-trihydroxy-7,9,15,16-tetramethyl-19-azatetracyclo[11.7.0.0¹,¹⁷.0⁴,⁸]icosa-6,11,15,19-tetraene-2,5-dione
(3r,5s,6s,8r,10s,12r,14r,15s,17s,18s,19r,22s,23r)-5,17,22-trihydroxy-6-methoxy-8,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-16-one
(1r,4as,9r,11ar)-1-(acetyloxy)-4-[(1s,2s)-1,2-bis(acetyloxy)-4-methylpent-3-en-1-yl]-7-methyl-11-methylidene-1h,4ah,5h,6h,9h,10h,11ah-cyclonona[c]pyran-9-yl 3-oxobutanoate
methyl (1r,9s,10s,12s,13e,16s,17r,18s)-13-ethylidene-8-methyl-18-(3,4,5-trimethoxybenzoyloxy)-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
methyl 13-ethylidene-8-methyl-18-(3,4,5-trimethoxybenzoyloxy)-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
{[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid
(3s,3ar,4s,9s,11as)-4-{[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-hydroxy-3,6,10-trimethyl-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
10,16,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-17-one
(3e,5s)-3-[(2e,4e,6e)-1-hydroxy-7-[(1s,6s)-6-[(1e,3e,5e)-7-hydroxy-7-[(3z,5s)-5-(hydroxymethyl)-2-methylidene-4-oxopyrrolidin-3-ylidene]hepta-1,3,5-trien-1-yl]cyclohex-2-en-1-yl]hepta-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
(2s,6r)-2-{[(1r,3as,3br,5ar,7r,8r,9as,9bs,11s,11as)-3a,8,11-trihydroxy-9a,11a-dimethyl-10-oxo-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-2,6-dihydropyran-3-one
(3s,3ar,4s,9r,11ar)-4-{[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-hydroxy-3,6,10-trimethyl-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
{[(4z,6z,8r,9r,10z,12r,13s,14r,16r)-3,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid
3-hydroxy-2-{[(2e,4e,6e,8e,10e,12e,14e)-1-hydroxy-2,14-dimethyl-15-[(4r,5r)-5-methyl-2-[(1e)-2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]pentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoic acid
methyl 6,15-bis(acetyloxy)-7-hydroxy-4,5,7,10,14,14-hexamethyl-18-oxo-19,20-dioxahexacyclo[10.5.2.1²,⁸.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-3-ene-9-carboxylate
3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
methyl 5,6-bis(acetyloxy)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-octahydrophenanthro[1,2-c]pyran-2-carboxylate
methyl (1s,2s,5r,6r,7s,8s,9s,10r,12s,15s)-6,15-bis(acetyloxy)-7-hydroxy-4,5,7,10,14,14-hexamethyl-18-oxo-19,20-dioxahexacyclo[10.5.2.1²,⁸.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-3-ene-9-carboxylate
5,6,9,12,15,16-hexahydroxy-7-[(2e,4e,6e,10e)-pentadeca-2,4,6,10-tetraen-1-yl]-3h,3ah,6h,7h,10h,13h,16h,16ah-furo[3,2-l]1,4,7,11-tetraazacyclopentadecan-2-one
C28H40N4O8 (560.2846000000001)
3-(7a-{[2-(hydroxymethyl)-3-(5-isopropyl-3-oxo-4,5,6,7-tetrahydro-1h-2-benzofuran-4-yl)prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid
[(2r,3r)-2-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,6-dihydroxy-6-methylheptan-3-yl]oxyphosphonic acid
C27H45O10P (560.2750199999999)
2-(hydroxymethyl)-6-{[4-isopropyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy}oxane-3,4,5-triol
(3r,5s,6s,8r,10s,12r,14r,15s,16s,18r,19r,22s,23r)-5,16,22-trihydroxy-6-methoxy-8,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-17-one
7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-11-oxo-1-(6-oxopyran-3-yl)-dodecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
(5as,6r,9s,9as)-9-hydroxy-9-({[2-(hydroxymethyl)-3-[(4s,5r)-5-isopropyl-3-oxo-4,5,6,7-tetrahydro-1h-2-benzofuran-4-yl]prop-2-enoyl]oxy}methyl)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
(2r,3r,4s,5s,6r)-2-{[(4s,4ar)-4-isopropyl-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r,5s,7r,9r,10s,12r,14r,15s,16s,18r,19r,22s,23r)-10,16,22-trihydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-17-one
(1r,3as,3br,7s,9as,9bs,10r,11ar)-3a,10-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
methyl (1r,9s,10s,12s,13z,16s,17r,18s)-13-ethylidene-8-methyl-18-(3,4,5-trimethoxybenzoyloxy)-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
5-(acetyloxy)-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-4-[(2-methylpropanoyl)oxy]-hexahydroindeno[1,7a-b]oxirene-3-carboxylic acid
(2r,3r,4s,5s,6r)-2-{[(4r,4ar)-6-methyl-4-[(2s)-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-2,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2s,3s,4s,6s)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-11-oxo-1-(6-oxopyran-3-yl)-dodecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
3a,10-dihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
2-[(4,5-dihydroxy-2-{[2-hydroxy-6-(3-hydroxy-4-methylphenyl)-2,5-dimethylheptan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]oxane-3,4,5-triol
(1ar,3r,3ar,4r,5r,6r,7as)-5-(acetyloxy)-6-[(1s,6r)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-4-[(2-methylpropanoyl)oxy]-hexahydroindeno[1,7a-b]oxirene-3-carboxylic acid
(1s,3ar,3br,5as,7s,9ar,9bs,11ar)-3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,4ar,5s,6r,8as)-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-4-({[(2r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-octahydro-1h-naphthalen-1-yl 2-hydroxy-3-methylbutanoate
12-hydroxy-17-methoxy-8,8,21,21-tetramethyl-5,19-bis(3-methylbut-2-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12,15-pentaene-14,18-dione
methyl (1r,9s,10s,12s,13z,16s,17s)-13-ethylidene-8-methyl-18-(3,4,5-trimethoxybenzoyloxy)-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
3a-hydroxy-11a-methyl-1-(6-oxopyran-3-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(2-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,6-dihydroxy-6-methylheptan-3-yl)oxyphosphonic acid
C27H45O10P (560.2750199999999)