Exact Mass: 594.2658
Exact Mass Matches: 594.2658
Found 500 metabolites which its exact mass value is equals to given mass value 594.2658
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isobebeerin
Isochondrodendrine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid. Isochondrodendrine is a natural product found in Cissampelos pareira, Stephania elegans, and other organisms with data available.
Curine
Curine is an aromatic ether. Curine is a natural product found in Cissampelos pareira, Cyclea barbata, and other organisms with data available.
Chondrocurine
Tyr-Gly-Gly-Trp-Leu
Aceroside VIII
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
(3beta,16beta,17alpha,18beta,20alpha)-17-hydroxy-11-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-yohimban-16-carboxylic acid, methyl ester|ent-17beta-Hydroxy-11-methoxy-18alpha-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carbonsaeure-methylester|ent-17beta-hydroxy-11-methoxy-18alpha-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carboxylic acid methyl ester|neonorreserpine|reserpine
6-Sulfate-(3beta, 4beta, 5alpha, 6alpha, 7beta, 15alpha, 24E)-Cholest-24-ene-3, 4, 5, 6, 7, 8, 14, 15, 26-nonol
O6,O6-didemethyl-1alphaH-cycleanine|O6,O6-Didesmethyl-1alphaH-cycleanin
(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-trans-cinnamoyloxy-3,4,6-trihydroxydihydro-beta-agarofuran
(1R,2S,3S,4S,5R,7R,9S,10R)-2beta,3beta-diacetoxy-1alpha,9beta-dibenzoyloxy-4beta-hydroxydihydro-(15alpha)-beta-agarofuran
(+)-2,2-bisnorguattaguianine|1-Epimer,O7-Me,N2,N2-di-de-Me-Tiliageine
(3R)-1,7-bis-(4-dihydroxyphenyl)-3-heptanol 3-O-beta-D-glucopyranosyl(1->3)-beta-D-xylopyranoside
6,7-dimethoxy-2,2-dimethyl-(1alphaH)-thalicberane-7,12-diol|7-O-Demethylisothalicberin|O7-demethyl-isothalicberine
ent18alpha-Hydroxy-11-methoxy-17beta-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carbonsaeure-methylester|ent18alpha-hydroxy-11-methoxy-17beta-(3,4,5-trimethoxy-benzoyloxy)-15beta-yohimban-16alpha-carboxylic acid methyl ester
6-Deacetyl-12beta-hydroxyscilliroside|6-desacetyl-12beta-hydroxy-scilliroside
-16alpha-acetoxy-heteroclitalactone H|heteroclitalactone J
9,21,26-Trimethoxy-15-methyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.2~3,6~.1~8,12~.0~14,19~.0~18,23~.0~28,32~]hexatriaconta-3,5,8(34),9,11,18,20,22,25,27,32,35-dodecaen-22-ol
1alpha,2beta-diacetoxy-6beta,9beta-dibenzoyloxy-4beta-hydroxy-dihydro-beta-agarofuran|salaterpene C
6,7-dimethoxy-2,2-dimethyl-(1betaH)-thalmane-6,12-diol|Dryadodaphnin|Dryadodaphnine
(1alpha,2alpha,8beta,9beta)-1,8-bis(acetyloxy)-2,9-bis(benzoyloxy)-14-hydroxy-beta-dihydroagarofuran
(7S,7R,8R,8S)-7-butoxy-7,9-epoxy-4,4,9-trihydroxy-3,3-dimethoxylignane 9-O-beta-D-glucopyranoside
(1R,4S,5S,6R,7R,8S,9R,10S)-1,8-diacetoxy-6,9-dibenzoyloxy-4-hydroxydihydro-beta-agarofuran|(1S,4S,5S,6R,7R,8S,9R,10S)-1,8-diacetoxy-9,6-dibenzoyloxy-4-hydroxy-dihydro-beta-agarofuran
1alpha,9beta-Dibenzoyloxy-6beta,8beta-diacetoxy-4beta-hydroxydihydro-beta-agarofuran
(2alpha,3alpha,4beta)-3,21-Disulfate,Cholest-5-ene-2,3,4,21-tetrol
Tyr Phe His Glu
YGGWL
Gluten exorphin B5 is an oligopeptide.
C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_major
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_minor
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol_major
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol_62.5\\%
Asp Phe Lys Trp
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Asp Phe Trp Lys
Asp Phe Trp Gln
Asp Lys Phe Trp
Asp Lys Trp Phe
Asp Gln Phe Trp
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Asp Trp Phe Gln
Asp Trp Lys Phe
Asp Trp Gln Phe
Glu Phe His Tyr
Glu Phe Asn Trp
Glu Phe Trp Asn
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Glu His Phe Tyr
Glu His Tyr Phe
Glu Asn Phe Trp
Glu Asn Trp Phe
Glu Gln Arg Tyr
Glu Gln Tyr Arg
Glu Arg Gln Tyr
Glu Arg Tyr Gln
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Glu Tyr His Phe
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Phe Asp Lys Trp
Phe Asp Gln Trp
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Phe Glu His Tyr
Phe Glu Asn Trp
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Phe Glu Tyr His
Phe Gly Trp Trp
Phe His Glu Tyr
Phe His Tyr Glu
Phe Lys Asp Trp
Phe Lys Trp Asp
Phe Asn Glu Trp
Phe Asn Trp Glu
Phe Gln Asp Trp
Phe Gln Trp Asp
Phe Trp Asp Lys
Phe Trp Asp Gln
Phe Trp Glu Asn
Phe Trp Gly Trp
Phe Trp Lys Asp
Phe Trp Trp Gly
Gly Phe Trp Trp
Gly Trp Phe Trp
Gly Trp Trp Phe
His Ile Tyr Tyr
His Leu Tyr Tyr
His Tyr Ile Tyr
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Ile His Tyr Tyr
Ile Asn Trp Tyr
Ile Asn Tyr Trp
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Ile Trp Tyr Asn
Ile Tyr His Tyr
Ile Tyr Asn Trp
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Lys Asp Phe Trp
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Lys Met Met Trp
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Leu His Tyr Tyr
Leu Asn Trp Tyr
Leu Asn Tyr Trp
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Asn Ile Trp Tyr
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Asn Trp Tyr Ile
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Asn Tyr Trp Leu
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Gln Tyr Arg Glu
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Val Gln Trp Tyr
Val Gln Tyr Trp
Val Trp Gln Tyr
Val Trp Tyr Gln
Val Tyr Gln Trp
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Trp Asp Phe Lys
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Trp Phe Gly Trp
Trp Phe Lys Asp
Trp Phe Trp Gly
Trp Gly Phe Trp
Trp Gly Trp Phe
Trp Ile Asn Tyr
Trp Ile Tyr Asn
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Trp Leu Asn Tyr
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Trp Gln Tyr Val
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Trp Trp Phe Gly
Trp Trp Gly Phe
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Tyr Glu Gln Arg
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Tyr Tyr Leu His
1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
ST 24:5;O7;Hex
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (S)-
Tyr-Gly-Gly-Trp-Leu
3-[(11R,12R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13,15(24),16,18,20(23)-decaen-22-yl]propanoic acid
3-[(21S,22S)-11,26-diethyl-12-formyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-17,19,21-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
(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-1,2-oxazole-3-carboxamide
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
4,4,4-trifluoro-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
1-[(4R,7R,8S)-5-[(2-chlorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-methoxyphenyl)urea
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
3-[(3R,21S,22S)-16-Ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-22-yl]propanoic acid
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol
(1s,14r)-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaene-9,21-diol
(1r,14s)-6,20,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaen-21-ol
(1s,2s,3s,4s,5r,8r,9s,11r,12z,17r)-2,9-bis(acetyloxy)-4,5-dihydroxy-12-(hydroxymethyl)-4,8,17-trimethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl hexanoate
(1r,2s,3e,5r,7s,8z,10r,13s)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(2e)-4-[(1r,2r,7s,14s,15s,16s,18s)-11,15-dihydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal
5-[(1r,3ar,3bs,5r,7s,9ar,9br,11r,11as)-3a,3b,5,11-tetrahydroxy-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pyran-2-one
2,9,10,13-tetrakis(acetyloxy)-5,11-dihydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-12-en-7-yl acetate
9,20,25-trimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-21-ol
(1r,14s)-20,25-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaene-6,21-diol
(1r,2s,3r,4r,4as,8ar)-2-{[2-(acetyloxy)-3-methylbutanoyl]oxy}-3-hydroxy-3,4,8,8a-tetramethyl-4-[(1e)-2-(5-oxo-2h-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl benzoate
(1r,16s)-9,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaene-10,21-diol
5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2¹³,¹⁶.1³,⁷.1¹⁸,²².0¹¹,³⁶.0²⁶,³³]hexatriaconta-1(30),3,5,7(36),13,15,18,20,22(33),28,31,34-dodecaene-4,19-diol
(1r,2s,3z,5s,7s,8e,10r,13s)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(12s,25r)-5,20-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2¹⁴,¹⁷.1¹⁹,²³.0³,⁸.0⁷,¹².0²⁹,³³]hexatriaconta-1(32),3(8),4,6,14,16,19(34),20,22,29(33),30,35-dodecaene-4,31-diol
(9r)-3-(4-{[(1s)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}phenoxy)-15-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,16-diol
{[(4e,6r,8s,9s,10e,12s,13r,14s,16r)-3,6,13,22-tetrahydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-20,21-dioxo-2-azabicyclo[16.3.1]docosa-1(22),2,4,10,18-pentaen-9-yl]oxy}methanimidic acid
(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1s,14r)-20,21,25-trimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaen-9-ol
1beta-dehydroxy-4alpha-deacetylbaccatin iv
{"Ingredient_id": "HBIN002386","Ingredient_name": "1beta-dehydroxy-4alpha-deacetylbaccatin iv","Alias": "1\u03b2-dehydroxy-4\u03b1-deacetylbaccatin iv","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)(CO4)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25935;4983","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-deacetyltaxachitriene a
{"Ingredient_id": "HBIN005507","Ingredient_name": "2-deacetyltaxachitriene a","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)O)COC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "594.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100927232","DrugBank_id": "NA"}
2'-northaliphylline
{"Ingredient_id": "HBIN006146","Ingredient_name": "2'-northaliphylline","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "NA","Ingredient_weight": "594.7","OB_score": "11.87244045","CAS_id": "105418-70-0","SymMap_id": "SMIT10004","TCMID_id": "NA","TCMSP_id": "MOL008781","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-northalmine
{"Ingredient_id": "HBIN006147","Ingredient_name": "2-northalmine","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=C3C(=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)OC)O","Ingredient_weight": "594.7 g/mol","OB_score": "35.65989007","CAS_id": "10148-79-3","SymMap_id": "SMIT10005","TCMID_id": "NA","TCMSP_id": "MOL008782","TCM_ID_id": "NA","PubChem_id": "180979","DrugBank_id": "NA"}
(+)-2-northalrugosine
{"Ingredient_id": "HBIN006148","Ingredient_name": "(+)-2-northalrugosine","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6)OC)O)OC)OC","Ingredient_weight": "594.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15795","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "13890733","DrugBank_id": "NA"}
5alpha-deacetylbaccatin
{"Ingredient_id": "HBIN011416","Ingredient_name": "5alpha-deacetylbaccatin","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26032","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-deacetylbaccatini
{"Ingredient_id": "HBIN011417","Ingredient_name": "5\u03b1-deacetylbaccatini","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-epicanadense
{"Ingredient_id": "HBIN011529","Ingredient_name": "5-epicanadense","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO)O)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aceroside viii
{"Ingredient_id": "HBIN014385","Ingredient_name": "aceroside viii","Alias": "NA","Ingredient_formula": "C30H42O12","Ingredient_Smile": "C1C(C(C(O1)OCC2C(C(C(C(O2)OC(CCCCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)O)O)O)(CO)O","Ingredient_weight": "594.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "46889081","DrugBank_id": "NA"}
aromoline
{"Ingredient_id": "HBIN016902","Ingredient_name": "aromoline","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC","Ingredient_weight": "594.7","OB_score": "NA","CAS_id": "519-53-9","SymMap_id": "NA","TCMID_id": "1769","TCMSP_id": "NA","TCM_ID_id": "6628;10102;17710;17711;21678","PubChem_id": "362574","DrugBank_id": "NA"}
(+)-aromoline
{"Ingredient_id": "HBIN016903","Ingredient_name": "(+)-aromoline","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC","Ingredient_weight": "594.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1770","TCMSP_id": "NA","TCM_ID_id": "11773","PubChem_id": "362574","DrugBank_id": "NA"}
baluchistine
{"Ingredient_id": "HBIN017567","Ingredient_name": "baluchistine","Alias": "NA","Ingredient_formula": "C36H38N2O6","Ingredient_Smile": "CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)O","Ingredient_weight": "594.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "10167;12371;15551","PubChem_id": "102247461","DrugBank_id": "NA"}