Exact Mass: 594.2532
Exact Mass Matches: 594.2532
Found 500 metabolites which its exact mass value is equals to given mass value 594.2532
,
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
Pseudolaric acid B-glucopyranoside
Pseudolaric acid B-O-beta-D-glucopyranoside is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric acid B β-D-glucoside is a diterpenoid isolated from Pseudolarix kaempferi[1]. Pseudolaric acid B β-D-glucoside is a diterpenoid isolated from Pseudolarix kaempferi[1].
Pseudolaric
Pseudolaric acid B-O-beta-D-glucopyranoside is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric acid B β-D-glucoside is a diterpenoid isolated from Pseudolarix kaempferi[1]. Pseudolaric acid B β-D-glucoside is a diterpenoid isolated from Pseudolarix kaempferi[1].
Aceroside VIII
Pseudolaric acid B O-beta-D-glucopyranoside
Pseudolaric acid B β-D-glucoside is a diterpenoid isolated from Pseudolarix kaempferi[1]. Pseudolaric acid B β-D-glucoside is a diterpenoid isolated from Pseudolarix kaempferi[1].
(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
Phenylosazone-betabeta-D-Galactopyranosyl-(1?6)-beta-D-glalctopyranoslyl-(1?4)-D-glucose
6-Deacetyl-12beta-hydroxyscilliroside|6-desacetyl-12beta-hydroxy-scilliroside
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\\%
Cys Met Arg Trp
Cys Met Trp Arg
Cys Arg Met Trp
Cys Arg Trp Met
Cys Trp Met Arg
Cys Trp Arg Met
Asp Phe Lys Trp
Asp Phe Gln Trp
Asp Phe Trp Lys
Asp Phe Trp Gln
Asp Lys Phe Trp
Asp Lys Trp Phe
Asp Gln Phe Trp
Asp Gln Trp Phe
Asp Trp Phe Lys
Asp Trp Phe Gln
Asp Trp Lys Phe
Asp Trp Gln Phe
Glu Phe His Tyr
Glu Phe Asn Trp
Glu Phe Trp Asn
Glu Phe Tyr His
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
Glu Trp Phe Asn
Glu Trp Asn Phe
Glu Tyr Phe His
Glu Tyr His Phe
Glu Tyr Gln Arg
Glu Tyr Arg Gln
Phe Asp Lys Trp
Phe Asp Gln Trp
Phe Asp Trp Lys
Phe Asp Trp Gln
Phe Glu His Tyr
Phe Glu Asn Trp
Phe Glu Trp Asn
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 Asn Glu
Phe Trp Gln Asp
Phe Trp Trp Gly
Phe Tyr Glu His
Phe Tyr His Glu
Gly Phe Trp Trp
Gly Trp Phe Trp
Gly Trp Trp Phe
His Glu Phe Tyr
His Glu Tyr Phe
His Phe Glu Tyr
His Phe Tyr Glu
His Ile Tyr Tyr
His Leu Tyr Tyr
His Tyr Glu Phe
His Tyr Phe Glu
His Tyr Ile Tyr
His Tyr Leu Tyr
His Tyr Tyr Ile
His Tyr Tyr Leu
Ile His Tyr Tyr
Ile Asn Trp Tyr
Ile Asn Tyr Trp
Ile Trp Asn Tyr
Ile Trp Tyr Asn
Ile Tyr His Tyr
Ile Tyr Asn Trp
Ile Tyr Trp Asn
Ile Tyr Tyr His
Lys Asp Phe Trp
Lys Asp Trp Phe
Lys Phe Asp Trp
Lys Phe Trp Asp
Lys Met Met Trp
Lys Met Trp Met
Lys Trp Asp Phe
Lys Trp Phe Asp
Lys Trp Met Met
Leu His Tyr Tyr
Leu Asn Trp Tyr
Leu Asn Tyr Trp
Leu Trp Asn Tyr
Leu Trp Tyr Asn
Leu Tyr His Tyr
Leu Tyr Asn Trp
Leu Tyr Trp Asn
Leu Tyr Tyr His
Met Cys Arg Trp
Met Cys Trp Arg
Met Lys Met Trp
Met Lys Trp Met
Met Met Lys Trp
Met Met Gln Trp
Met Met Trp Lys
Met Met Trp Gln
Met Gln Met Trp
Met Gln Trp Met
Met Arg Cys Trp
Met Arg Trp Cys
Met Trp Cys Arg
Met Trp Lys Met
Met Trp Met Lys
Met Trp Met Gln
Met Trp Gln Met
Met Trp Arg Cys
Asn Glu Phe Trp
Asn Glu Trp Phe
Asn Phe Glu Trp
Asn Phe Trp Glu
Asn Ile Trp Tyr
Asn Trp Glu Phe
Asn Trp Phe Glu
Gln Asp Phe Trp
Gln Asp Trp Phe
Gln Glu Arg Tyr
Gln Glu Tyr Arg
Gln Phe Asp Trp
Gln Phe Trp Asp
Gln Met Met Trp
Gln Met Trp Met
Gln Arg Glu Tyr
Gln Arg Tyr Glu
Gln Trp Asp Phe
Gln Trp Phe Asp
Gln Trp Met Met
Gln Tyr Glu Arg
Gln Tyr Arg Glu
Arg Cys Met Trp
Arg Cys Trp Met
Arg Glu Gln Tyr
Arg Glu Tyr Gln
Arg Met Cys Trp
Arg Met Trp Cys
Arg Gln Glu Tyr
Arg Gln Tyr Glu
Arg Trp Cys Met
Arg Trp Met Cys
Arg Tyr Glu Gln
Arg Tyr Gln Glu
Ser Tyr Tyr Tyr
Trp Cys Met Arg
Trp Cys Arg Met
Trp Asp Phe Gln
Trp Asp Gln Phe
Trp Glu Phe Asn
Trp Glu Asn Phe
Trp Phe Asp Gln
Trp Phe Glu Asn
Trp Phe Gly Trp
Trp Phe Asn Glu
Trp Phe Gln Asp
Trp Phe Trp Gly
Trp Gly Phe Trp
Trp Gly Trp Phe
Trp Lys Met Met
Trp Met Cys Arg
Trp Met Lys Met
Trp Met Met Lys
Trp Met Met Gln
Trp Met Gln Met
Trp Met Arg Cys
Trp Asn Glu Phe
Trp Asn Phe Glu
Trp Gln Asp Phe
Trp Gln Phe Asp
Trp Gln Met Met
Trp Arg Cys Met
Trp Arg Met Cys
Trp Trp Phe Gly
Trp Trp Gly Phe
Tyr Glu Phe His
Tyr Glu His Phe
Tyr Glu Gln Arg
Tyr Glu Arg Gln
Tyr Phe Glu His
Tyr His Glu Phe
Tyr His Phe Glu
Tyr Gln Glu Arg
Tyr Gln Arg Glu
Tyr Arg Glu Gln
Tyr Arg Gln Glu
Tyr Ser Tyr Tyr
Tyr Tyr Ser Tyr
Tyr Tyr Tyr Ser
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
(s,s)-1-(dicyclohexylphosphino)-2-[1-(diphenylphosphino)ethyl]ferrocene
(R)-(-)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine
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)-
(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-[(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
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
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
2-[(2S,4aS,12aR)-8-[[(3,4-difluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(2S,4aR,12aS)-8-[[(3,4-difluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
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
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol
methyl (1s,2s,3r,4r,7s,8e,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-ene-9-carboxylate
(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
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,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
n-[(2s,3r,4s,5s,6r)-2-{[(2r,3s,4s,5r,6r)-6-{[(3ar,4r,5r,6s,6as)-4-hydroxy-6-(hydroxymethyl)-2-imino-hexahydrocyclopenta[d][1,3]oxazol-5-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
(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"}
6'-o-acetylpseudolaricacid b-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN012608","Ingredient_name": "6'-o-acetylpseudolaricacid b-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C29H38O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "489","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"}