Exact Mass: 661.3381496000001

Nagarine

C34H47NO12 (661.3098102)

Aconifine is a diterpenoid that is aconitine bearing a 10-hydroxy substituent. It is functionally related to an aconitine. It derives from a hydride of an aconitane. Aconifine is a natural product found in Aconitum karakolicum, Aconitum nagarum, and Aconitum soongaricum with data available. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid

norBNI

C40H43N3O6 (661.3151697999999)

D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists

Lolitrem J

C39H51NO8 (661.3614486)

Mucronine D

C37H51N5O6 (661.3839146)

Mucronine D is found in fruits. Mucronine D is an alkaloid from the stem bark of Zizyphus jujuba (Chinese date) and Zizyphus jujuba var. inermi Alkaloid from the stem bark of Zizyphus jujuba (Chinese date) and Zizyphus jujuba variety inermis. Mucronine D is found in fruits.

Norbinaltorphimine

C40H43N3O6 (661.3151697999999)

Paliurine A

C37H51N5O6 (661.3839146)

Mucronine D

C37H51N5O6 (661.3839146)

3-methoxyacoforestinine

C36H53O11 (661.3587688)

C37H51N5O6

C37H51N5O6 (661.3839146)

altaconitine

C34H47NO12 (661.3098102)

Mucronin D

C37H51N5O6 (661.3839146)

Neogermitrin

C36H55NO10 (661.382577)

aljesaconitine B

C35H51NO11 (661.3461936)

C34H47NO12

C34H47NO12 (661.3098102)

(16S)-20-Aethyl-1alpha,6alpha,8,16-tetramethoxy-4-methoxymethyl-14alpha-veratroyloxy-aconitan-3alpha,13-diol|(16S)-20-ethyl-1alpha,6alpha,8,16-tetramethoxy-4-methoxymethyl-14alpha-veratroyloxy-aconitane-3alpha,13-diol|8-O-methylveratroylpseudaconine

C35H51NO11 (661.3461936)

C31H47N7O9

C31H47N7O9 (661.3435092)

C32H51N7O8

C32H51N7O8 (661.3798926000001)

C37H43NO10

C37H43NO10 (661.2886818000001)

Tyr Ser Phe Val Phe

C35H43N5O8 (661.3111478000001)

Thr Arg Glu Glu Lys

C26H47N9O11 (661.3394872)

Asp Arg Trp Trp

C32H39N9O7 (661.2972304)

Asp Trp Arg Trp

C32H39N9O7 (661.2972304)

Asp Trp Trp Arg

C32H39N9O7 (661.2972304)

Phe Phe Trp Tyr

C38H39N5O6 (661.2900193999999)

Phe Phe Tyr Trp

C38H39N5O6 (661.2900193999999)

Phe Trp Phe Tyr

C38H39N5O6 (661.2900193999999)

Phe Trp Tyr Phe

C38H39N5O6 (661.2900193999999)

Phe Tyr Phe Trp

C38H39N5O6 (661.2900193999999)

Phe Tyr Trp Phe

C38H39N5O6 (661.2900193999999)

Arg Asp Trp Trp

C32H39N9O7 (661.2972304)

Arg Trp Asp Trp

C32H39N9O7 (661.2972304)

Arg Trp Trp Asp

C32H39N9O7 (661.2972304)

Trp Asp Arg Trp

C32H39N9O7 (661.2972304)

Trp Asp Trp Arg

C32H39N9O7 (661.2972304)

Trp Phe Phe Tyr

C38H39N5O6 (661.2900193999999)

Trp Phe Tyr Phe

C38H39N5O6 (661.2900193999999)

Trp Arg Asp Trp

C32H39N9O7 (661.2972304)

Trp Arg Trp Asp

C32H39N9O7 (661.2972304)

Trp Trp Asp Arg

C32H39N9O7 (661.2972304)

Trp Trp Arg Asp

C32H39N9O7 (661.2972304)

Trp Tyr Phe Phe

C38H39N5O6 (661.2900193999999)

Tyr Phe Phe Trp

C38H39N5O6 (661.2900193999999)

Tyr Phe Trp Phe

C38H39N5O6 (661.2900193999999)

Tyr Trp Phe Phe

C38H39N5O6 (661.2900193999999)

YSFVF

C35H43N5O8 (661.3111478000001)

TREEK

C26H47N9O11 (661.3394872)

OKOHA-PS

C31H52NO12P (661.3226962)

3,8-Diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1H-1,2,3-triazol-5-YL]hexyl]-phenanthridinium

C42H45N8+ (661.376699)

3,8-Diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1H-1,2,3-triazol-4-YL]hexyl]-phenanthridinium

C42H45N8+ (661.376699)

2-acetyl-6-hydroxyneomycin C(4+)

C25H51N5O15+4 (661.3381496000001)

2-Acetyl-6-hydroxyparomomycin

C25H49N4O16+3 (661.3143414)

[(5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3-oxo-22-thia-2,24-diazatricyclo[18.6.1.021,25]heptacosa-1(27),6,8,10,16,20,23,25-octaen-13-yl] (2R)-2-(cyclohexene-1-carbonylamino)propanoate

C37H47N3O6S (661.3185401999999)

Dragomabin

C37H51N5O6 (661.3839146)

A lipopeptide consisting of a 2-methyloct-7-ynoyl moiety attached to a linear tetrapeptide comprising of N-methyl-L-phenylalanyl, L-alanyl, N-methyl-L-alanyl and Nalpha,O-dimethyl-L-tyrosine units. It is isolated from a Panamanian strain of the marine cyanobacterium Lyngbya majuscula and displays antimalarial activity.

N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

C33H51N5O7S (661.3509016)

[2-tert-butyl-4-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]chromen-7-ylidene]-diethylazanium

C38H49N2O6S+ (661.3311154)

10-OH-Aconitine

C34H47NO12 (661.3098102)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8,12-trien-2-yl]butanamide

C32H55NO13 (661.3673220000001)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptadeca-4,8,12-trien-2-yl]propanamide

C32H55NO13 (661.3673220000001)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxypentadeca-4,8,12-trien-2-yl]pentanamide

C32H55NO13 (661.3673220000001)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8,12-trien-2-yl]hexanamide

C32H55NO13 (661.3673220000001)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadeca-4,8,12-trien-2-yl]acetamide

C32H55NO13 (661.3673220000001)

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C36H56NO8P (661.3743346)

[3-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C36H56NO8P (661.3743346)

Norbinaltorphimine

C40H43N3O6 (661.3151697999999)

D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists

CID 4533

C40H43N3O6 (661.3151697999999)

LSM-1313

C40H43N3O6 (661.3151697999999)

DGCC 26:7;O2

C36H55NO10 (661.382577)

PC 16:1/8:3;O3

C32H56NO11P (661.3590796)

PC 24:4;O3

C32H56NO11P (661.3590796)

LNAPE 31:8

C36H56NO8P (661.3743346)

PE 16:1/11:3;O3

C32H56NO11P (661.3590796)

PE 20:1/7:3;O3

C32H56NO11P (661.3590796)

PE 20:2/7:2;O3

C32H56NO11P (661.3590796)

PE 22:6/8:3;O

C35H52NO9P (661.3379512)

PE 27:4;O3

C32H56NO11P (661.3590796)

PE 30:9;O

C35H52NO9P (661.3379512)

LNAPS 26:3;O

C32H56NO11P (661.3590796)

PS O-25:5;O3

C31H52NO12P (661.3226962)

PS O-26:4;O2

C32H56NO11P (661.3590796)

PS P-18:0/8:3;O2

C32H56NO11P (661.3590796)

PS P-18:1/7:3;O3

C31H52NO12P (661.3226962)

PS P-18:1/8:2;O2

C32H56NO11P (661.3590796)

PS 14:0/12:3;O

C32H56NO11P (661.3590796)

PS 16:0/9:4;O2

C31H52NO12P (661.3226962)

PS 18:0/8:3;O

C32H56NO11P (661.3590796)

PS 18:1/7:3;O2

C31H52NO12P (661.3226962)

PS 18:2/7:2;O2

C31H52NO12P (661.3226962)

PS 18:2/8:1;O

C32H56NO11P (661.3590796)

PS 20:1/6:2;O

C32H56NO11P (661.3590796)

PS 20:3/5:1;O2

C31H52NO12P (661.3226962)

PS 22:2/4:1;O

C32H56NO11P (661.3590796)

PS 26:3;O

C32H56NO11P (661.3590796)

Hex2Cer 20:3;O2

C32H55NO13 (661.3673220000001)

ST 24:0;O8;HexNAc

C32H55NO13 (661.3673220000001)

ST 26:6;O7;HexNAc

C34H47NO12 (661.3098102)

ST 27:5;O6;HexNAc

C35H51NO11 (661.3461936)

ST 28:4;O5;HexNAc

C36H55NO10 (661.382577)

(2s)-n-[(2r,3s)-1-[(3s,7r,10s,13z)-10-[(2r)-butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-8-ethoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H51NO11 (661.3461936)

8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098102)

(2s)-n-[(1s)-1-{[(4s)-4-{[(1s)-4-amino-1-{[(3r)-1-hydroxy-2-oxopiperidin-3-yl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}-4-(methylamino)butyl](hydroxy)carbamoyl}-2-hydroxyethyl]-5-(n-hydroxyacetamido)-2-(methylamino)pentanimidic acid

C27H51N9O10 (661.3758706)

10-aconifine

C34H47NO12 (661.3098102)

{"Ingredient_id": "HBIN000048","Ingredient_name": "10-aconifine","Alias": "NA","Ingredient_formula": "C34H47NO12","Ingredient_Smile": "CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4(CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC(=O)C)OC)OC)O)COC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33035","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(2s)-n-[(2s)-1-[(3r,7s,10s,13z)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

(2s)-2-[(2s)-n,2-dimethyloct-7-ynamido]-n-[(1s)-1-{[(1s)-1-{[(1s)-1-(c-hydroxycarbonimidoyl)-2-(4-methoxyphenyl)ethyl](methyl)carbamoyl}ethyl](methyl)carbamoyl}ethyl]-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

(2s,3s)-n-[(2s)-1-[(3s,7s,10r,13e)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

C37H51N5O6 (661.3839146)

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,14-dihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate

C35H51NO11 (661.3461936)

n-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-4-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

8-ethoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H51NO11 (661.3461936)

11-ethyl-5,14-dihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate

C35H51NO11 (661.3461936)

4,7-bis(acetyloxy)-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C37H43NO10 (661.2886818000001)

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14s,15s,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098102)

(2s)-n-[(2s,3s)-1-[(3s,7s,10s,13e)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

2-[2-(6-{[(4ar,8s,11r,14s)-9,12-dihydroxy-14-methyl-11-(2-methylpropyl)-5,15-dioxo-3h,4h,4ah,7h,8h,11h,14h-pyridazino[3,2-c]1-oxa-4,7,10-triazacyclotridecan-8-yl]-c-hydroxycarbonimidoyl}-5,6-dihydro-4h-pyridazin-1-yl)-2-oxoethyl]heptanoic acid

C31H47N7O9 (661.3435092)

(2s,3s,3ar,4r,7r,8s,12s,13ar)-4,7-bis(acetyloxy)-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C37H43NO10 (661.2886818000001)

(2r,3r,5r,6s,8r,10r,17s)-8-ethoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H51NO11 (661.3461936)

(3s)-3-{[(2s,3s,4s)-1,3-dihydroxy-4-({hydroxy[(3s)-2-[(2r,3r)-3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl]-1,2-diazinan-3-yl]methylidene}amino)-2-methyl-5-phenylpentylidene]amino}-2-oxopyrrolidine-1-carboximidic acid

C31H47N7O9 (661.3435092)

2-(n,2-dimethyloct-7-ynamido)-n-{1-[(1-{[1-(c-hydroxycarbonimidoyl)-2-(4-methoxyphenyl)ethyl](methyl)carbamoyl}ethyl)(methyl)carbamoyl]ethyl}-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14s,15r,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098102)

(1r,2s,3s,4r,5r,6s,7s,8s,9r,10r,13r,14r,16s,17r,18r)-8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098102)

8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098102)

n-{1-[(13e)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-4-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

(3r)-3-{[(2s,3s,4s)-1,3-dihydroxy-4-({hydroxy[(3s)-2-[(2r,3r)-3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl]-1,2-diazinan-3-yl]methylidene}amino)-2-methyl-5-phenylpentylidene]amino}-2-oxopyrrolidine-1-carboximidic acid

C31H47N7O9 (661.3435092)

(2s,3s)-n-[(2s)-1-[(3s,7s,10s,13e)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

C37H51N5O6 (661.3839146)

n-{1-[8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-4-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

C37H51N5O6 (661.3839146)

3-[(1,3-dihydroxy-4-{[hydroxy(2-{3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl}-1,2-diazinan-3-yl)methylidene]amino}-2-methyl-5-phenylpentylidene)amino]-2-oxopyrrolidine-1-carboximidic acid

C31H47N7O9 (661.3435092)