Exact Mass: 530.2591
Exact Mass Matches: 530.2591
Found 500 metabolites which its exact mass value is equals to given mass value 530.2591
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Hydroxyprotoasukamycin
A tertiary alcohol that is protoasukamycin in which the 2,4-disubstituted phenol moiety has been oxidised to give the corresponding 2,4-disubstituted 4-hydroxycyclohexa-2,5-dienone. It is a precursor in the biosynthesis of asukamycin.
Cinncassiol D2 glucoside
Cinncassiol D2 glucoside is found in herbs and spices. Cinncassiol D2 glucoside is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol D2 glucoside is found in herbs and spices.
(8Z)-8-[2-Methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-3-ylidene]-1,3-di(prop-2-enyl)purine-2,6-dione
Cortivazol
D000893 - Anti-Inflammatory Agents
Glycerol phenylbutyrate
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C26170 - Protective Agent
Myotoxin A
Chaetoglobosin F
A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine.
Chaetoglobosin E
A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine.
Roridin L 2
(1S,4aS,5aS,7R,9S,9aS,10S,11aS,13R)-7-(acetyloxy)-1-(furan-3-yl)dodecahydro-8,8,9a,11a,13-pentamethyl-3,12-dioxo-4a,10-ethano-4aH-pyrano[4,3-b][1]benzoxepin-9-acetic acid methyl ester|cipadesin G
3beta-Acetoxy-2-hydroxy-1-oxo-meliacsaeure-methylester|3beta-Acetoxy-2-hydroxy-1-oxomeliacsaeuremethylester
Methyl-3beta-acetoxy-6-hydroxy-1-oxo-meliac-14,15-enat
[(2S,3R,4R)-4-(3,4,5-trimethoxy-benzyl)-2-(3,4,5-trimethoxy-phenyl)tetrahydrofuran-3-yl]methyl (2Z)-2-methylbut-2-en-oate|[(2S,3R,4R)-4-(3,4,5-trimethoxy-benzyl)-2-(3,4,5-trimethoxy-phenyl)tetrahydrofuran-3-yl]methyl-(2Z)-2-methylbut-2-en-oate|[(2S,3R,4R)-4-(3,4,5-trimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]-methyl (2Z)-2-methylbut-2-en-oate
5,6-dehydro-calotropin|5,6-Dehydrocalotropin|5,6-didehydrocalotropin
(1alpha,3beta,7alpha,11alpha,13alpha)-3,7,8,11-tetrahydroxy-2-oxopimar-15-en-1-yl beta-D-glucopyranoside|clerodendranthuside B
1,3,5-trihydroxy-7-methoxy-2-(3-methyl-4-hydroxy-2-butenyl)-6-(3,7-dihydroxy-3,7-dimethyloctyl)xanthone|cowaxanthone F
(29S)-19,29-epoxy-29-O-methyl-1a,3a,7a,29-tetrahydroxymeliacane-11,15-dione-3-acetate|12-dehydroneoazedarachin D
10(20)-grayanotoxene-2beta,3beta,5beta,6beta,14beta,16alpha-hexhydrox- 3-O-beta-D-glucopyranoside|rhodomoside B
(Z)-6-[(2R,5R,8R,11R,12S)-8-(4-hydroxybenzyl)-2-isopropyl-5,12-dimethyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-11-yl]hex-4-enoic acid|azumamide C
14alpha,15beta-diacetoxy-3alpha,8alpha-disenecioyloxy-14beta,15alpha-epoxy-alpha-isocedrene
6-deoxy-3-deoxo-3beta-acetoxy-khayanone|xyloccensin N
Val His Phe Glu
Angeloylgomisin Q
Angeloylgomisin Q is a natural product found in Schisandra lancifolia with data available. See also: Schisandra chinensis fruit (part of).
C26H42O11_(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid
(2S,3R,5S,9R)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(2S,3R,5S,9R)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_major
(2S,3R,5S,9R)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_2.1\\%
Ala Phe Phe Phe
Cys Pro Arg Arg
Cys Arg Pro Arg
Cys Arg Arg Pro
Asp Phe His Ile
Asp Phe His Leu
Asp Phe Ile His
Asp Phe Leu His
Asp His Phe Ile
Asp His Phe Leu
Asp His Ile Phe
Asp His Leu Phe
Asp Ile Phe His
Asp Ile His Phe
Asp Leu Phe His
Asp Leu His Phe
Glu Phe His Val
Glu Phe Val His
Glu His Phe Val
Glu His Val Phe
Glu Val Phe His
Glu Val His Phe
Phe Ala Phe Phe
Phe Asp His Ile
Phe Asp His Leu
Phe Asp Ile His
Phe Asp Leu His
Phe Glu His Val
Phe Glu Val His
Phe Phe Ala Phe
Phe Phe Phe Ala
Phe His Asp Ile
Phe His Asp Leu
Phe His Glu Val
Phe His Ile Asp
Phe His Leu Asp
Phe His Val Glu
Phe Ile Asp His
Phe Ile His Asp
Phe Leu Asp His
Phe Leu His Asp
Phe Thr Thr Tyr
Phe Thr Tyr Thr
Phe Val Glu His
Phe Val His Glu
Phe Tyr Thr Thr
His Asp Phe Ile
His Asp Phe Leu
His Asp Ile Phe
His Asp Leu Phe
His Glu Phe Val
His Glu Val Phe
His Phe Asp Ile
His Phe Asp Leu
His Phe Glu Val
His Phe Ile Asp
His Phe Leu Asp
His Phe Val Glu
His Ile Asp Phe
His Ile Phe Asp
His Leu Asp Phe
His Leu Phe Asp
His Val Glu Phe
His Val Phe Glu
Ile Asp Phe His
Ile Asp His Phe
Ile Phe Asp His
Ile Phe His Asp
Ile His Asp Phe
Ile His Phe Asp
Leu Asp Phe His
Leu Asp His Phe
Leu Phe Asp His
Leu Phe His Asp
Leu His Asp Phe
Leu His Phe Asp
Met Pro Gln Arg
Met Pro Arg Gln
Met Gln Pro Arg
Met Gln Arg Pro
Met Arg Pro Gln
Met Arg Gln Pro
Asn Asn Gln Arg
Asn Asn Arg Gln
Asn Gln Asn Arg
Asn Gln Arg Asn
Asn Arg Asn Gln
Asn Arg Gln Asn
Pro Cys Arg Arg
Pro Met Gln Arg
Pro Met Arg Gln
Pro Gln Met Arg
Pro Gln Arg Met
Pro Gln Thr Trp
Pro Gln Trp Thr
Pro Arg Cys Arg
Pro Arg Met Gln
Pro Arg Gln Met
Pro Arg Arg Cys
Pro Thr Gln Trp
Pro Thr Trp Gln
Pro Trp Gln Thr
Pro Trp Thr Gln
Gln Met Pro Arg
Gln Met Arg Pro
Gln Asn Asn Arg
Gln Asn Arg Asn
Gln Pro Met Arg
Gln Pro Arg Met
Gln Pro Thr Trp
Gln Pro Trp Thr
Gln Gln Gln Gln
Gln Arg Met Pro
Gln Arg Asn Asn
Gln Arg Pro Met
Gln Thr Pro Trp
Gln Thr Trp Pro
Gln Trp Pro Thr
Gln Trp Thr Pro
Arg Cys Pro Arg
Arg Cys Arg Pro
Arg Leu Glu Asn
Arg Leu Asn Glu
Arg Leu Gln Asp
Arg Met Pro Gln
Arg Met Gln Pro
Arg Asn Glu Ile
Arg Asn Glu Leu
Arg Asn Ile Glu
Arg Asn Leu Glu
Arg Asn Asn Gln
Arg Asn Gln Asn
Arg Pro Cys Arg
Arg Pro Met Gln
Arg Pro Gln Met
Arg Pro Arg Cys
Arg Gln Asp Ile
Arg Gln Asp Leu
Arg Gln Glu Val
Arg Gln Ile Asp
Arg Gln Leu Asp
Arg Gln Met Pro
Arg Gln Asn Asn
Arg Gln Pro Met
Arg Gln Val Glu
Arg Arg Cys Pro
Arg Arg Pro Cys
Arg Val Glu Gln
Arg Val Gln Glu
Ser Val Tyr Tyr
Ser Tyr Val Tyr
Ser Tyr Tyr Val
Thr Phe Thr Tyr
Thr Phe Tyr Thr
Thr Pro Gln Trp
Thr Pro Trp Gln
Thr Gln Pro Trp
Thr Gln Trp Pro
Thr Thr Phe Tyr
Thr Thr Tyr Phe
Thr Trp Pro Gln
Thr Trp Gln Pro
Thr Tyr Phe Thr
Thr Tyr Thr Phe
Val Glu Phe His
Val Glu His Phe
Val Glu Gln Arg
Val Glu Arg Gln
Val Phe Glu His
Val Phe His Glu
Val His Glu Phe
Val Ser Tyr Tyr
Val Tyr Ser Tyr
Val Tyr Tyr Ser
Trp Pro Gln Thr
Trp Pro Thr Gln
Trp Gln Pro Thr
Trp Gln Thr Pro
Trp Thr Pro Gln
Trp Thr Gln Pro
Tyr Phe Thr Thr
Tyr Ser Val Tyr
Tyr Ser Tyr Val
Tyr Thr Phe Thr
Tyr Thr Thr Phe
Tyr Val Ser Tyr
Tyr Val Tyr Ser
Tyr Tyr Ser Val
Tyr Tyr Val Ser
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
Cinncassiol D2 glucoside
2,6-Bis{[bis(2-pyridylMethyl)aMino]Methyl}-4-Methylphenol
(6-TERT-BUTOXYMETHOXYCARBONYLMETHYL-PIPERAZIN-2-YL)-ACETIC ACID TRITYL ESTER
Bazedoxifene Acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents C1892 - Chemopreventive Agent
Cortivazol
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Elacestrant hydrochloride
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
Glycerol phenylbutyrate
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C26170 - Protective Agent
2,3-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
[(1S,2R,3R,4S,5R)-3-[(3S,3aS,4S,4R,5S,6R,7S,7aS)-6-[(1R)-1-azaniumyl-2-hydroxyethyl]-3,4,5,7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2-oxane]-4-yl]oxy-5-azaniumyl-2,4-dihydroxycyclohexyl]-methylazanium
(12Z)-14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2-oxirane]-11,22-dione
D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
A natural product found in Euphorbia grandicornis.
(3S,3aR,4S,6S,6aR,7E,10S,11E,13R,14S,15Z,17aR)-6,13,14-trihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylidene-3,3a,4,5,6,6a,9,10,13,14-decahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione
(3S,3aR,6S,6aR,7E,10S,11E,13R,14S,15Z,17aR)-6,13,14-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione
Chaetoglobosin Fex
A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium brasiliense.
1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1,3-thiazol-2-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-carboxamide
1-(3-fluorophenyl)-3-[(4S,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
(2R)-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
2-[(3R,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1,3-thiazol-2-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-carboxamide
(2R)-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
2-[(3S,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(2S)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(2S)-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(2R)-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
1-(3-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
(2R)-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(2R)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
1-(3-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(4R,7S,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(4R,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
(5S,6R,9R)-N-(2-fluorophenyl)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(2S)-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(2R)-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(2S)-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
2-[(3R,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(2R)-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(2S)-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] tridecanoate
1-tridecanoyl-sn-glycero-3-phospho-(1-myo-inositol)
hygromycin B(3+)
An ammonium ion that is the trication of hygromycin B arising from protonation of the three amino groups; major species at pH 7.3.
2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl 7-hydroxy-6-[2-(5-oxo-2h-furan-3-yl)ethoxy]octa-2,4-dienoate
(1'r,2s,3's,8's,12'e,17'r,18'e,20'e,24'r,25's,27'r)-27'-hydroxy-17'-[(1s)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(18'e)-27'-hydroxy-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(2r,3s,4s,5r,9s,10s,13r,14s)-2,3,14-trihydroxy-5,9-dimethyl-14-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(1s,2r,4s,6r,9z,11s,12s)-4,9,12-trimethyl-15-(propan-2-ylidene)-2-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.0⁴,⁶]pentadec-9-en-11-yl pyridine-3-carboxylate
methyl 2-[(1s,3r,4s,5s,7s,8s,9r,12s,13s)-4-(acetyloxy)-13-(furan-3-yl)-5-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
(1r,6r,7z,9s,11z,13r,14s,16r,17s,18r)-6,21-dihydroxy-19-(1h-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,5-dione
(3s,3ar,4s,6s,6ar,10s,13r,17as)-1,6,13-trihydroxy-3-(1h-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione
(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,4s,5r,9r,10s,11s,13s,14s,15s)-11,14,15-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2e,5r)-5-{[(8s)-6-benzoyl-7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-5-oxochromen-8-yl]methyl}-2,6-dimethylhepta-2,6-dienoic acid
(1s,2r,5s,7s,8s,10r,12r,13s,15s,16r,17s,18r)-16-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-18-hydroxy-17-methyl-3-oxo-6,9-dioxahexacyclo[10.7.0.0²,⁸.0⁵,⁷.0⁸,¹⁰.0¹³,¹⁷]nonadecan-15-yl acetate
(1s,3r,5s,7r,9s,10s,12r,14r,15s,18r,19r,22r)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-23-ene-14-carbaldehyde
(18'e,20'e)-14'-hydroxy-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(1s,6s,7e,9s,11e,13r,14s,16r,17s,18r,19s)-6,21-dihydroxy-19-(1h-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,5-dione
9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde
(19'e,21'e)-18'-(1-hydroxyethyl)-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
6,8,12-trihydroxy-2,2-dimethyl-11-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1,10-dioxatetraphen-5-one
(3ar,6s,6ar,10r,17as)-1,6,14-trihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,6h,6ah,9h,10h,14h,15h,16h-cyclotrideca[d]isoindole-13,17-dione
12'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24',29'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.1¹⁵,¹⁸.0³,⁸.0⁸,²⁶]nonacosane]-4',19',21'-triene-11',23'-dione
(1s,5s,7e,9s,11e,13r,14s,16r,17s,18r,19s)-5,21-dihydroxy-19-(1h-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,6-dione
(3s,3ar,6s,6ar,10s,13r,17as)-1,6,13-trihydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,6h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione
[(2s,3r,4r)-4-(3,4,5-trimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]methyl(2z)-2-methylbut-2-en-oate
{"Ingredient_id": "HBIN006634","Ingredient_name": "[(2s,3r,4r)-4-(3,4,5-trimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]methyl(2z)-2-methylbut-2-en-oate","Alias": "NA","Ingredient_formula": "C29H38O9","Ingredient_Smile": "CC=C(C)C(=O)OCC1C(COC1C2=CC(=C(C(=C2)OC)OC)OC)CC3=CC(=C(C(=C3)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21882","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}