Exact Mass: 554.178803
Exact Mass Matches: 554.178803
Found 41 metabolites which its exact mass value is equals to given mass value 554.178803,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
7-O-Methylaloeresin A
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
7-O-Methylaloeresin A is a natural product found in Aloe africana, Aloe perryi, and Aloe marlothii with data available.
8-C-Glucosylchromone 2-O-p-methoxycoumaroyl 5-methyl-7-hydroxy 2-acetonyl
8-C-Glucosylchromone 2-O-p-methoxycoumaroyl 5-methyl-7-hydroxy 2-acetonyl
cleistanthin D
cleistanthin D
A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a 2,3,4-tri-O-methyl-D-xylofuranosyl group.
Asp Glu Glu Tyr
(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Asp Glu Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Asp Tyr Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]pentanedioic acid
Glu Asp Glu Tyr
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Glu Asp Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Glu Glu Asp Tyr
(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Glu Tyr Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Glu Tyr Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]pentanedioic acid
Glu Tyr Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]butanedioic acid
Tyr Asp Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-carboxybutanamido]pentanedioic acid
Tyr Glu Asp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-carboxypropanamido]pentanedioic acid
Tyr Glu Glu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-4-carboxybutanamido]butanedioic acid
Rolapitant Hydrochloride
Rolapitant Hydrochloride Monohydrate
C25H29ClF6N2O3 (554.1770786000001)
D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model[1][2].
(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfonyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfonyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
7-o-methulaloeresin a
NA
{"Ingredient_id": "HBIN013395","Ingredient_name": "7-o-methulaloeresin a","Alias": "NA","Ingredient_formula": "C29H30O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25526","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-{[(2s,3r,4s,5r)-3,4,5-trimethoxyoxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-{[(2s,3r,4s,5r)-3,4,5-trimethoxyoxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
4,5-dihydroxy-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-methoxyphenyl)prop-2-enoate
4,5-dihydroxy-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-methoxyphenyl)prop-2-enoate
13-{3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaen-13-yl}-15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
13-{3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaen-13-yl}-15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
9-(2h-1,3-benzodioxol-5-yl)-4-{[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-4-{[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(3,4,5-trimethoxyoxan-2-yl)oxy]-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(3,4,5-trimethoxyoxan-2-yl)oxy]-3h-naphtho[2,3-c]furan-1-one
(2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
(2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
methyl (1r,2r,4s)-4-{[(2r,5s,6s)-5-acetyl-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl (1r,2r,4s)-4-{[(2r,5s,6s)-5-acetyl-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl 4-[(5-acetyl-5-hydroxy-6-methyloxan-2-yl)oxy]-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
methyl 4-[(5-acetyl-5-hydroxy-6-methyloxan-2-yl)oxy]-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-methoxyphenyl)prop-2-enoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-methoxyphenyl)prop-2-enoate
(2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2e)-3-phenylprop-2-enoyl]oxy}oxan-2-yl]oxy}phenyl)methyl (1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
(2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2e)-3-phenylprop-2-enoyl]oxy}oxan-2-yl]oxy}phenyl)methyl (1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate