Exact Mass: 545.2121676
Exact Mass Matches: 545.2121676
Found 500 metabolites which its exact mass value is equals to given mass value 545.2121676,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Man(a3)Man(b4)GlcNAc
C20H35NO16 (545.1955750000001)
alpha-D-Galactosyl-N-acetyllactosamine
C20H35NO16 (545.1955750000001)
Doxorubicinol
Doxorubicinol belongs to the family of Anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
Lacto-N-triaose
C20H35NO16 (545.1955750000001)
Human beta-1,3-N-acetylglucosaminyltransferase 2 (beta3GnT2) converts lacto-N-triose II into lacto-N-tetraose and lacto-N-neotetraose. (PMID:16277601).
Dihydrozeatin-9-N-glucoside-O-glucoside
Dihydrozeatin-9-N-glucoside-O-glucoside is involved in the cytokinin O-glucoside biosynthesis which occurs in the nuclei and cytosol of plant cells. Cytokinins play an important role in the regulation of numerous physiological reactions in plants. Dihydrozeatin undergoes an N-glucosylation to form dihydrozeatin-9-N-glucoside. This product is then conjugated into an O-glucoside. This latter reaction is reversible and beta-glucosidases can remove the addition at the O-position, which yields back dihydrozeatin-9-N-glucoside. The molecule can then regain its physiological activity. The process is perceived as a way to store the molecule by inactivating it temporarily. A human metabolite taken as a putative food compound of mammalian origin [HMDB]. Dihydrozeatin-9-N-glucoside-O-glucoside is found in many foods, some of which are sunburst squash (pattypan squash), canada blueberry, chayote, and lemon verbena.
Lacto-N-triose I
C20H35NO16 (545.1955750000001)
Lacto-N-triose I is found in milk and milk products. Lacto-N-triose I is isolated from the partial acid hydrolysis of human milk. Isolated from the partial acid hydrolysis of human milk. Lacto-N-triose I is found in milk and milk products.
N-Acetylgalactosaminyl lactose
C20H35NO16 (545.1955750000001)
N-Acetylgalactosaminyl lactose is a trisaccharide obtained from bovine colostrum. A trisaccharide obtained from bovine colostrum
4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium
C27H33N2O6S2 (545.1779938000001)
4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium belongs to the family of Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. (http://en.wikipedia.org/wiki/Diphenylmethane)
Doxorubicinol aglycone
Doxorubicinol aglycone is a metabolite of doxorubicin. Doxorubicin is a drug used in cancer chemotherapy. It is an anthracycline antibiotic, closely related to the natural product daunomycin, and like all anthracyclines, it works by intercalating DNA. Doxorubicin is commonly used in the treatment of a wide range of cancers, including hematological malignancies, many types of carcinoma, and soft tissue sarcomas. Doxorubicins most serious adverse effect is life-threatening heart damage. (Wikipedia)
7-(1,5-dimethyl-3-(phenoxymethyl)-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
Gal-alpha1,4Gal-beta1,4-GlcNAc
C20H35NO16 (545.1955750000001)
THOS Streptonigrin
6-O-[2-Acetamido-2-deoxy-4-O-(b-D-galactopyranosyl)-b-D-glucopyranosyl]-D-galactopyranose
C20H35NO16 (545.1955750000001)
O3-(2-acetylamino-O3-beta-D-galactopyranosyl-2-deoxy-beta-D-glucopyranosyl)-D-galactose|O3-(2-Acetylamino-O3-beta-D-galactopyranosyl-2-desoxy-beta-D-glucopyranosyl)-D-galactose
C20H35NO16 (545.1955750000001)
N-Ac-2-Amino-2-deoxy-beta-D-glucopyranosyl-(1?3)-beta-D-galactopyranosyl-(1?4)-D-glucose
C20H35NO16 (545.1955750000001)
His Phe Gln Asp
Arg Asn Gln Glu
Gln Phe His Asp
Arg Gln Asn Glu
Cys Phe Asn Tyr
Cys Phe Tyr Asn
Cys His Met Arg
C20H35N9O5S2 (545.2202460000001)
Cys His Arg Met
C20H35N9O5S2 (545.2202460000001)
Cys His Thr Trp
Cys His Trp Thr
Cys Met His Arg
C20H35N9O5S2 (545.2202460000001)
Cys Met Arg His
C20H35N9O5S2 (545.2202460000001)
Cys Asn Phe Tyr
Cys Asn Tyr Phe
Cys Arg His Met
C20H35N9O5S2 (545.2202460000001)
Cys Arg Met His
C20H35N9O5S2 (545.2202460000001)
Cys Thr His Trp
Cys Thr Trp His
Cys Trp His Thr
Cys Trp Thr His
Cys Tyr Phe Asn
Cys Tyr Asn Phe
Asp Glu Pro Trp
Asp Glu Trp Pro
Asp Phe His Gln
Asp Phe Gln His
Asp His Phe Gln
Asp His Gln Phe
Asp Pro Glu Trp
Asp Pro Trp Glu
Asp Gln Phe His
Asp Gln His Phe
Asp Trp Glu Pro
Asp Trp Pro Glu
Glu Asp Pro Trp
Glu Asp Trp Pro
Glu Phe His Asn
Glu Phe Asn His
Glu His Phe Asn
Glu His Asn Phe
Glu Asn Phe His
Glu Asn His Phe
Glu Pro Asp Trp
Glu Pro Trp Asp
Glu Trp Asp Pro
Glu Trp Pro Asp
Phe Cys Asn Tyr
Phe Cys Tyr Asn
Phe Asp His Gln
Phe Asp Gln His
Phe Glu His Asn
Phe Glu Asn His
Phe Gly His Trp
Phe Gly Trp His
Phe His Asp Gln
Phe His Glu Asn
Phe His Gly Trp
Phe His Asn Glu
Phe His Gln Asp
Phe His Trp Gly
Phe Asn Cys Tyr
Phe Asn Glu His
Phe Asn His Glu
Phe Asn Tyr Cys
Phe Gln Asp His
Phe Gln His Asp
Phe Trp Gly His
Phe Trp His Gly
Phe Tyr Cys Asn
Phe Tyr Asn Cys
Gly Phe His Trp
Gly Phe Trp His
Gly His Phe Trp
Gly His Trp Phe
Gly Trp Phe His
Gly Trp His Phe
His Cys Met Arg
C20H35N9O5S2 (545.2202460000001)
His Cys Arg Met
C20H35N9O5S2 (545.2202460000001)
His Cys Thr Trp
His Cys Trp Thr
His Asp Phe Gln
His Asp Gln Phe
His Glu Phe Asn
His Glu Asn Phe
His Phe Asp Gln
His Phe Glu Asn
His Phe Gly Trp
His Phe Asn Glu
His Phe Trp Gly
His Gly Phe Trp
His Gly Trp Phe
His Lys Met Met
His Met Cys Arg
C20H35N9O5S2 (545.2202460000001)
His Met Lys Met
His Met Met Lys
His Met Met Gln
His Met Gln Met
His Met Arg Cys
C20H35N9O5S2 (545.2202460000001)
His Asn Glu Phe
His Asn Phe Glu
His Gln Asp Phe
His Gln Phe Asp
His Gln Met Met
His Arg Cys Met
C20H35N9O5S2 (545.2202460000001)
His Arg Met Cys
C20H35N9O5S2 (545.2202460000001)
His Thr Cys Trp
His Thr Trp Cys
His Trp Cys Thr
His Trp Phe Gly
His Trp Gly Phe
His Trp Thr Cys
Lys His Met Met
Lys Met His Met
Lys Met Met His
Met Cys His Arg
C20H35N9O5S2 (545.2202460000001)
Met Cys Arg His
C20H35N9O5S2 (545.2202460000001)
Met His Cys Arg
C20H35N9O5S2 (545.2202460000001)
Met His Lys Met
Met His Met Lys
Met His Met Gln
Met His Gln Met
Met His Arg Cys
C20H35N9O5S2 (545.2202460000001)
Met Lys His Met
Met Lys Met His
Met Met His Lys
Met Met His Gln
Met Met Lys His
Met Met Gln His
Met Gln His Met
Met Gln Met His
Met Arg Cys His
C20H35N9O5S2 (545.2202460000001)
Met Arg His Cys
C20H35N9O5S2 (545.2202460000001)
Asn Cys Phe Tyr
Asn Cys Tyr Phe
Asn Glu Phe His
Asn Glu His Phe
Asn Phe Cys Tyr
Asn Phe Glu His
Asn Phe His Glu
Asn Phe Tyr Cys
Asn His Glu Phe
Asn His Phe Glu
Asn Ser Tyr Tyr
Asn Tyr Cys Phe
Asn Tyr Phe Cys
Asn Tyr Ser Tyr
Asn Tyr Tyr Ser
Pro Asp Glu Trp
Pro Asp Trp Glu
Pro Glu Asp Trp
Pro Glu Trp Asp
Pro Trp Asp Glu
Pro Trp Glu Asp
Gln Asp Phe His
Gln Asp His Phe
Gln Phe Asp His
Gln His Asp Phe
Gln His Phe Asp
Gln His Met Met
Gln Met His Met
Gln Met Met His
Arg Cys His Met
C20H35N9O5S2 (545.2202460000001)
Arg Cys Met His
C20H35N9O5S2 (545.2202460000001)
Arg His Cys Met
C20H35N9O5S2 (545.2202460000001)
Arg His Met Cys
C20H35N9O5S2 (545.2202460000001)
Arg Met Cys His
C20H35N9O5S2 (545.2202460000001)
Arg Met His Cys
C20H35N9O5S2 (545.2202460000001)
Ser Asn Tyr Tyr
Ser Tyr Asn Tyr
Ser Tyr Tyr Asn
Thr Cys His Trp
Thr Cys Trp His
Thr His Cys Trp
Thr His Trp Cys
Thr Trp Cys His
Thr Trp His Cys
Trp Cys His Thr
Trp Cys Thr His
Trp Asp Glu Pro
Trp Asp Pro Glu
Trp Glu Asp Pro
Trp Glu Pro Asp
Trp Phe Gly His
Trp Phe His Gly
Trp Gly Phe His
Trp Gly His Phe
Trp His Cys Thr
Trp His Phe Gly
Trp His Gly Phe
Trp His Thr Cys
Trp Pro Asp Glu
Trp Pro Glu Asp
Trp Thr Cys His
Trp Thr His Cys
Tyr Cys Phe Asn
Tyr Cys Asn Phe
Tyr Phe Cys Asn
Tyr Phe Asn Cys
Tyr Asn Cys Phe
Tyr Asn Phe Cys
Tyr Asn Ser Tyr
Tyr Asn Tyr Ser
Tyr Ser Asn Tyr
Tyr Ser Tyr Asn
Tyr Tyr Asn Ser
Tyr Tyr Ser Asn
Lacto-N-triaose
C20H35NO16 (545.1955750000001)
Dihydrozeatin-9-N-glucoside-O-glucoside
An N-glycosyldihydrozeatin consisting of dihydrozeatin carrying two alpha-D-glucosyl on the oxygen and the nitrogen at position 9 in the purine ring.
Doxorubicinol
A member of the class of tetracenequinones that is the major metabolite of the anthracycline doxorubicin, a chemotherapeutic agent effective against a broad range of malignant neoplasms. It is thought to exhibit cardiotoxic properties.
Lacto-N-triose I
C20H35NO16 (545.1955750000001)
N-Acetylgalactosaminyl lactose
C20H35NO16 (545.1955750000001)
Landiolol Hydrochloride
C25H40ClN3O8 (545.2503790000001)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Landiolol hydrochloride (ONO1101 hydrochloride) is a highly beta1 selective ultra-short acting beta-blocker (β1/β2 selectivity?=?255:1, a half-life of 4?min)， acts as an adrenoceptor antagonist[1].
2-nitrophenyl-beta-d-galactopyranoside-6-phosphate dicyclohexyl
4-O-(6-O-[2-Acetamido-2-deoxy-b-D-glucopyranosyl]-b-D-galactopyranosyl)-D-glucopyranose
C20H35NO16 (545.1955750000001)
betaLacNAc
C20H35NO16 (545.1955750000001)
Sufrexal
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Ketanserin (R41468) tartrate is a selective 5-HT2 receptor antagonist. Ketanserin tartrate also blocks hERG current (IhERG) in a concentration-dependent manner (IC50=0.11 μM).
n-(2-nitrophenylsulfenyl)-s-benzyl-l-cysteine dicyclohexylammonium salt
3-[(2R)-2-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
4-nitrophenyl 2-acetamido-3-o-(2-acetamido-2-deoxy-b-d-glucopyranosyl)-2-deoxy-a-d-galactopyranoside
4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-α-D-galactopyranoside
O-2-(Acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-alpha-D-galactopyranosyl-(1-4)-D-glucose
C20H35NO16 (545.1955750000001)
R(+)-N,N-BIS(2-DIPHENYLPHOSPHINOETHYL)-1-PHENYLETHYLAMINE
[4-[[4-(Diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
C27H33N2O6S2+ (545.1779938000001)
alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)-D-Gal
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
4-{[4-(Diethylamino)phenyl](2,5-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium
C27H33N2O6S2+ (545.1779938000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
C20H35NO16 (545.1955750000001)
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol
alpha-D-galactosyl-(1,3)-beta-D-galactosyl-(1,4)-N-acetyl-D-glucosamine
C20H35NO16 (545.1955750000001)
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-[[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol
beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp
C20H35NO16 (545.1955750000001)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
beta-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
C20H35NO16 (545.1955750000001)
alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc
C20H35NO16 (545.1955750000001)
4-[(2E)-2-[(3-Methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
C27H27N7O4S (545.1845142000001)
N-benzyl-2-phenylethanaminium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
C20H35NO16 (545.1955750000001)
N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose
C20H35NO16 (545.1955750000001)
beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannopyranose
C20H35NO16 (545.1955750000001)
beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-D-Gal
C20H35NO16 (545.1955750000001)
alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-D-glucosamine
C20H35NO16 (545.1955750000001)
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactose
C20H35NO16 (545.1955750000001)
beta-D-Glcp-(1->6)-beta-D-GlcpNAc-(1->3)-beta-D-Galp
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->4)-beta-D-Gal-(1->3)-alpha-D-GalNAc
C20H35NO16 (545.1955750000001)
beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-beta-D-GlcpNAc
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-NHAc
C20H35NO16 (545.1955750000001)
alpha-D-Gal-(1->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc
C20H35NO16 (545.1955750000001)
(3R,3R,4S,6R,8S,8aS)-6-(4-hydroxyphenyl)-1,2-dioxo-3,4-diphenyl-8-spiro[1H-indole-3,7-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide
3-(1,3-benzodioxol-5-yl)-1-[[(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]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(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]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(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]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(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]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(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]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(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]-1-methylurea
(1R)-N-(3,5-dimethyl-4-isoxazolyl)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
C26H35N5O6S (545.2307930000001)
N-[[(2R,3R)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2S,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2R,3R)-8-(3-cyclopentylprop-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2S,3R)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2S,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
3-(1,3-benzodioxol-5-yl)-1-[[(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]-1-methylurea
(1S)-N-(3,5-dimethyl-4-isoxazolyl)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
C26H35N5O6S (545.2307930000001)
alpha-D-Galp-(1->4)-beta-D-GalpNAc-(1->4)-D-Galp
C20H35NO16 (545.1955750000001)
alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GalpNAc
C20H35NO16 (545.1955750000001)
alpha-L-Fucp-(1->3)-[beta-D-Galp4F-(1->4)]-beta-D-GlcpNAc-OMe
N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-galactosyl-(1->3)-D-galactose
C20H35NO16 (545.1955750000001)
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-D-manno-hexopyranose
C20H35NO16 (545.1955750000001)
(2R,3S,4S,5R)-2-(Hydroxymethyl)-6-{6-[(3-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)amino]-9H-purin-9-yl}oxane-3,4,5-triol
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-beta-D-manno-hexopyranose
C20H35NO16 (545.1955750000001)
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranose
C20H35NO16 (545.1955750000001)
2-amino-3-[[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
C20H35NO16 (545.1955750000001)
A linear amino trisaccharide comprising of 2-acetamido-2-deoxy-beta-D-glucopyranosyl residue (1->3)-linked to a beta-D-galactosyl residue, which is in turn linked (1->4) to D-glucose.
2-(dimethylamino)-n-[3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methylhexanimidic acid
4-methoxy-9-oxo-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl 2,3-dihydroxy-3-(3-methylbutyl)butanedioate
1-{4,16-dihydroxy-11-[(5-hydroxy-6-methyloxan-2-yl)oxy]-4,8,10-trimethyl-3,5,14-trioxo-2-azatetracyclo[7.6.1.0²,⁶.0¹²,¹⁶]hexadeca-1(15),7,12-trien-6-yl}ethyl acetate
asterin a; me ester
{"Ingredient_id": "HBIN017184","Ingredient_name": "asterin a; me ester","Alias": "NA","Ingredient_formula": "C26H35N5O8","Ingredient_Smile": "NA","Ingredient_weight": "545.58","OB_score": "NA","CAS_id": "151964-52-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6555","PubChem_id": "NA","DrugBank_id": "NA"}
asterin B
{"Ingredient_id": "HBIN017185","Ingredient_name": "asterin B","Alias": "asterin b","Ingredient_formula": "C26H35N5O8","Ingredient_Smile": "CNC1CCC2(C3CC4=C5C2(C1OC5=CC=C4)CCN3CC6CC6)O","Ingredient_weight": "545.58","OB_score": "8.984232865","CAS_id": "151964-52-2","SymMap_id": "SMIT11503;SMIT14398","TCMID_id": "1923","TCMSP_id": "MOL010452","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
asterinin a; me ester
{"Ingredient_id": "HBIN017187","Ingredient_name": "asterinin a; me ester","Alias": "NA","Ingredient_formula": "C26H35N5O8","Ingredient_Smile": "NA","Ingredient_weight": "545.58","OB_score": "NA","CAS_id": "157536-41-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6553","PubChem_id": "NA","DrugBank_id": "NA"}
asterinin c
{"Ingredient_id": "HBIN017188","Ingredient_name": "asterinin c","Alias": "NA","Ingredient_formula": "C26H35N5O8","Ingredient_Smile": "CCC(C(=O)NC(CO)C(=O)NC(CC(=O)NC(C(C)O)C(=O)OC)C1=CC=CC=C1)NC(=O)C2=CC=CN2","Ingredient_weight": "545.58","OB_score": "NA","CAS_id": "157605-23-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6552","PubChem_id": "101667553","DrugBank_id": "NA"}
12-(3,4-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
(2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-(6-{[(3r)-3-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]amino}purin-9-yl)oxane-3,4,5-triol
(2s)-n-[(1s)-2-hydroxy-1-[(2-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl)-c-hydroxycarbonimidoyl]ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid
7-hydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
3-hydroxy-n-[2-hydroxy-1-({2-[(1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-1-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid
(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-{[(1r)-2-{[(2s)-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid
(2s,3s)-3-hydroxy-n-[(1s)-2-hydroxy-1-[(2-{[(2s)-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl)-c-hydroxycarbonimidoyl]ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid
12-(3,4-dimethoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-7-ol
(1r)-1-[(4r,6r,9s,10r,11s,16s)-4,16-dihydroxy-11-{[(2r,5s)-5-hydroxy-6-methyloxan-2-yl]oxy}-4,8,10-trimethyl-3,5,14-trioxo-2-azatetracyclo[7.6.1.0²,⁶.0¹²,¹⁶]hexadeca-1(15),7,12-trien-6-yl]ethyl acetate
2-[(e)-[(3-{[(1e,2r,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)
2-[(e)-[(3-{[(1e,2s,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)
methyl (1s,4ar,6r,7s,7ar)-6-hydroxy-7-[(1r)-2,3,4,9-tetrahydro-1h-carbazol-1-yl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
12-(3,5-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
(4s,7r,8s,9s,13s,14s,16r,17e)-13-chloro-4,8,14,16-tetrahydroxy-5,5,7,9-tetramethyl-17-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1-oxacyclooctadecane-2,6-dione
C26H40ClNO7S (545.2213880000002)
13-chloro-4,8,14,16-tetrahydroxy-5,5,7,9-tetramethyl-17-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1-oxacyclooctadecane-2,6-dione
C26H40ClNO7S (545.2213880000002)
7-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
(2s,4s)-2-(dimethylamino)-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methylhexanimidic acid
n-[2-hydroxy-1-({2-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-c-hydroxycarbonimidoyl]-1-phenylethyl}-c-hydroxycarbonimidoyl)ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid
2-{[(3-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino}ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)
(2s)-n-[(1s)-2-hydroxy-1-{[(1r)-2-{[(2s,3s)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]-c-hydroxycarbonimidoyl}ethyl]-2-(1h-pyrrol-2-ylformamido)butanimidic acid
2-[(e)-[(3-{[(1e,2s,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid
C24H35NO9S2 (545.1753140000001)