Exact Mass: 629.3352351999999

Exact Mass Matches: 629.3352351999999

Found 161 metabolites which its exact mass value is equals to given mass value 629.3352351999999, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Indaconitine

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

C34H47NO10 (629.3199802)

Indaconitine is a diterpenoid. Indaconitine is a natural product found in Aconitum hemsleyanum and Aconitum vilmorinianum with data available. Indaconitine is a natural product.

Falaconitine

C34H47NO10 (629.3199802)

Janthitrem G

12-Hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl acetic acid

C39H51NO6 (629.3716185999999)

Janthitrem G is produced by Penicillium janthinellum. Tremorgenic mycotoxi

Indaconitone

Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1.alpha.,3.alpha.,6.alpha.,14.alpha.,16.beta.)-

C34H47NO10 (629.3199802)

Acetylbenzoylpseudaconine is a natural product found in Aconitum transsectum, Aconitum chasmanthum, and other organisms with data available. Indaconitine is a natural product.

deoxyaconitine

Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

C34H47NO10 (629.3199802)

A diterpene alkaloid with formula C34H47NO10 that is isolated from several Aconitum species. 3-Deoxyaconitine is a natural product found in Aconitum polyschistum, Aconitum flavum, and other organisms with data available. 3-Deoxyaconitine a diterpenoid alkaloid, is a sodium channel activator[1]. 3-Deoxyaconitine a diterpenoid alkaloid, is a sodium channel activator[1].

3-Deoxyaconitine

C34H47NO10 (629.3199802)

Aristolin

C37H43NO8 (629.2988518000001)

(1alpha,3alpha,6alpha,14alpha,16beta)-8-ethoxy-20-ethyl-3-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate|8-O-ethylaustroconitine|hemsleyaconitine E

C35H51NO9 (629.3563636)

C29H48ClN5O8_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(3-chloro-2-hydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)

NCGC00380703-01_C29H48ClN5O8_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(3-chloro-2-hydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)-

C29H48ClN5O8 (629.3191238)

3,4,5,6-tetradehydrogeissospermine

[C40H45N4O3]+ (629.349148)

moandaensine C

[C40H45N4O3]+ (629.349148)

Ile Arg Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H47N11O5 (629.3761451999999)

Ile Arg Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Ile Trp Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Leu Arg Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H47N11O5 (629.3761451999999)

Leu Arg Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Leu Trp Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Ile Arg Trp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H47N11O5 (629.3761451999999)

Arg Ile Trp Arg

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Leu Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H47N11O5 (629.3761451999999)

Arg Leu Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Arg Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H47N11O5 (629.3761451999999)

Arg Arg Leu Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H47N11O5 (629.3761451999999)

Arg Arg Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Arg Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Trp Ile Arg

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Trp Leu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Trp Arg Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid

C29H47N11O5 (629.3761451999999)

Arg Trp Arg Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid

C29H47N11O5 (629.3761451999999)

Trp Ile Arg Arg

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Trp Leu Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Trp Arg Ile Arg

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Trp Arg Leu Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-5-carbamimidamidopentanoic acid

C29H47N11O5 (629.3761451999999)

Trp Arg Arg Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid

C29H47N11O5 (629.3761451999999)

Trp Arg Arg Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid

C29H47N11O5 (629.3761451999999)

MQPRV

Met Gln Pro Arg Val

C26H47N9O7S (629.3318992)

TVTFY

Thr Val Thr Phe Tyr

C31H43N5O9 (629.3060628000001)

RVIWG

Arg Val Ile Trp Gly

C30H47N9O6 (629.3649121999999)

VERQV

Val-Glu-Arg-Gln-Val

C26H47N9O9 (629.3496572)

Indinavir-N-oxide

C36H47N5O5 (629.3577012)

P-HydroxyIndinavir

C36H47N5O5 (629.3577012)

3-HydroxyIndinavir

C36H47N5O5 (629.3577012)

Janthitrem G

12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0^{2,15}.0^{3,12}.0^{6,11}.0^{18,30}.0^{20,28}.0^{22,27}]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate

C39H51NO6 (629.3716185999999)

2,4-Bis[2-hydroxy-4-butoxyphenyl]-6-(2,4-dibutoxyphenyl)-1,3,5-triazin

C37H47N3O6 (629.3464681999999)

TYR-D-ALA-GLY-PHE-D-LEU ACETATE SALT

C31H43N5O9 (629.3060628000001)

N-2-Hydroxy-3-[[2-(Methoxyphenoxy)ethyl]aMine Carvedilol

C36H43N3O7 (629.3100847999999)

3-(triethoxysilyl)-N,N-bis-3-(triethoxysilyl)-propyl-Propane-1-amine Propane-1-amine,3-(triethoxysilyl)-N,N-bis-3-(triethoxysilyl)-propyl-

C27H63NO9Si3 (629.3810428)

benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate

C37H47N3O6 (629.3464681999999)

N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-ethylaniline

C48H39N (629.3082334)

Tris(Triisopropyloxysilyl)amine

C27H63NO9Si3 (629.3810428)

1,2-bis(ethenyl)benzene,2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate,1-(2-ethenylphenyl)-N,N-dimethylmethanamine

C39H51NO6 (629.3716185999999)

Upamostat

C32H47N5O6S (629.3246882000001)

C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

(3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate

C36H43N3O7 (629.3100847999999)

[12-Hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl] acetate

C39H51NO6 (629.3716185999999)

3,4,5,6-tetradehydrogeissospermine

C40H45N4O3+ (629.349148)

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

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

C33H48FN5O6 (629.3588439999999)

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

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

C33H48FN5O6 (629.3588439999999)

N-(2-aminophenyl)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide

C36H47N5O5 (629.3577012)

5-aminopentyl beta-D-glucopyranosyl-(1->3)-4-O-acetyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl-(1->3)-beta-D-glucopyranoside

C26H47NO16 (629.2894702)

[(1S,2R,3R,4R,5R,6S,7S,8R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

C34H47NO10 (629.3199802)

moandaensine C

C40H45N4O3+ (629.349148)

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

C34H47NO10 (629.3199802)

SHexCer 22:0;3O

C28H55NO12S (629.3444790000001)

2-amino-3-[[3-[(14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H56NO9P (629.3692496)

Lnaps 7:0/N-18:4

C31H52NO10P (629.3328662)

Lnaps 3:0/N-22:4

C31H52NO10P (629.3328662)

Lnaps 22:4/N-3:0

C31H52NO10P (629.3328662)

Lnaps 5:0/N-20:4

C31H52NO10P (629.3328662)

Lnaps 18:4/N-7:0

C31H52NO10P (629.3328662)

Lnaps 20:4/N-5:0

C31H52NO10P (629.3328662)

SHexCer 10:0;2O/12:0;O

C28H55NO12S (629.3444790000001)

2-amino-3-[[2-decanoyloxy-3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H56NO9P (629.3692496)

2-amino-3-[[3-decoxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H56NO9P (629.3692496)

2-amino-3-[hydroxy-[2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

C31H52NO10P (629.3328662)

2-amino-3-[[3-heptanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H52NO10P (629.3328662)

2-amino-3-[[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-nonanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H52NO10P (629.3328662)

2-amino-3-[[2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H52NO10P (629.3328662)

PC O-24:5;O2

C32H56NO9P (629.3692496)

PC P-16:1/8:3;O2

C32H56NO9P (629.3692496)

PC 14:1/9:4;O2

C31H52NO10P (629.3328662)

PC 16:1/8:3;O

C32H56NO9P (629.3692496)

PC 18:2/6:2;O

C32H56NO9P (629.3692496)

PC 18:4/5:1;O2

C31H52NO10P (629.3328662)

PC 20:3/4:1;O

C32H56NO9P (629.3692496)

PC 23:5;O2

C31H52NO10P (629.3328662)

PC 24:4;O

C32H56NO9P (629.3692496)

LNAPE 27:4;O

C32H56NO9P (629.3692496)

PE O-26:6;O3

C31H52NO10P (629.3328662)

PE O-27:5;O2

C32H56NO9P (629.3692496)

PE P-18:0/9:4;O2

C32H56NO9P (629.3692496)

PE P-18:1/8:4;O3

C31H52NO10P (629.3328662)

PE P-20:1/7:3;O2

C32H56NO9P (629.3692496)

PE 14:1/13:3;O

C32H56NO9P (629.3692496)

PE 18:2/8:3;O2

C31H52NO10P (629.3328662)

PE 18:3/7:3;O3

C30H48NO11P (629.2964827999999)

PE 18:3/8:2;O2

C31H52NO10P (629.3328662)

PE 18:3/9:1;O

C32H56NO9P (629.3692496)

PE 18:4/7:2;O3

C30H48NO11P (629.2964827999999)

PE 18:4/8:1;O2

C31H52NO10P (629.3328662)

PE 20:1/7:3;O

C32H56NO9P (629.3692496)

PE 22:4/4:1;O2

C31H52NO10P (629.3328662)

PE 25:6;O3

C30H48NO11P (629.2964827999999)

PE 26:5;O2

C31H52NO10P (629.3328662)

PE 27:4;O

C32H56NO9P (629.3692496)

LNAPS 24:5;O

C30H48NO11P (629.2964827999999)

LNAPS 25:4

C31H52NO10P (629.3328662)

LPS 26:4

C32H56NO9P (629.3692496)

PS O-25:5;O

C31H52NO10P (629.3328662)

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

C31H52NO10P (629.3328662)

PS 18:3/6:2;O

C30H48NO11P (629.2964827999999)

PS 20:4/4:1;O

C30H48NO11P (629.2964827999999)

PS 24:5;O

C30H48NO11P (629.2964827999999)

ST 22:2;O8;HexNAc

C30H47NO13 (629.3047252)

ST 23:1;O7;HexNAc

C31H51NO12 (629.3411086000001)

ST 24:0;O6;HexNAc

C32H55NO11 (629.377492)

ST 26:6;O5;HexNAc

C34H47NO10 (629.3199802)

ST 27:5;O4;HexNAc

C35H51NO9 (629.3563636)

ST 29:3;O7;Tau

C31H51NO10S (629.3233506)

[(1s,4r,9r,10r,13r,14r)-14-hydroxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C37H43NO8 (629.2988518000001)

2-[({1-[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(methylsulfanyl)butanoic acid

2-[({1-[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(methylsulfanyl)butanoic acid

C30H43N7O6S (629.2995378)

(1s,3s,7s,9r,10s,11r,16s,17s,26r,28s,29r)-3-methoxy-16,17,34,34-tetramethyl-25-methylidene-11-(prop-1-en-2-yl)-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.0³,¹⁷.0⁶,¹⁶.0⁷,⁹.0⁷,¹³.0¹⁸,³².0²⁰,³¹.0²³,³⁰.0²⁶,²⁹]tetratriaconta-18(32),20,22,30-tetraene-10,29-diol

(1s,3s,7s,9r,10s,11r,16s,17s,26r,28s,29r)-3-methoxy-16,17,34,34-tetramethyl-25-methylidene-11-(prop-1-en-2-yl)-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.0³,¹⁷.0⁶,¹⁶.0⁷,⁹.0⁷,¹³.0¹⁸,³².0²⁰,³¹.0²³,³⁰.0²⁶,²⁹]tetratriaconta-18(32),20,22,30-tetraene-10,29-diol

C38H47NO7 (629.3352351999999)

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

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

C34H47NO10 (629.3199802)

aristoloin i

C37H43NO8 (629.2988518000001)

{"Ingredient_id": "HBIN016813","Ingredient_name": "aristoloin i","Alias": "NA","Ingredient_formula": "C37H43NO8","Ingredient_Smile": "CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(COC(=O)C5=CC6=C(C7=C8C=CC=C(C8=CC(=C57)[N+](=O)[O-])OC)OCO6)O)C)C","Ingredient_weight": "629.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1721","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101260745","DrugBank_id": "NA"}

3-methoxy-16,17,34,34-tetramethyl-25-methylidene-11-(prop-1-en-2-yl)-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.0³,¹⁷.0⁶,¹⁶.0⁷,⁹.0⁷,¹³.0¹⁸,³².0²⁰,³¹.0²³,³⁰.0²⁶,²⁹]tetratriaconta-18(32),20,22,30-tetraene-10,29-diol

3-methoxy-16,17,34,34-tetramethyl-25-methylidene-11-(prop-1-en-2-yl)-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.0³,¹⁷.0⁶,¹⁶.0⁷,⁹.0⁷,¹³.0¹⁸,³².0²⁰,³¹.0²³,³⁰.0²⁶,²⁹]tetratriaconta-18(32),20,22,30-tetraene-10,29-diol

C38H47NO7 (629.3352351999999)

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

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

C34H47NO10 (629.3199802)

5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9,14-trimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate

C34H47NO10 (629.3199802)

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

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

C35H51NO9 (629.3563636)

(2s,3r,6s,8s,9r,12s,15s,22r)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate

(2s,3r,6s,8s,9r,12s,15s,22r)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate

C39H51NO6 (629.3716185999999)

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

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

C34H47NO10 (629.3199802)

(3s,6s,9r,12r,19s)-3-benzyl-19-[(2s)-butan-2-yl]-5,8,11,14,17-pentahydroxy-6-methyl-9,12-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C33H51N5O7 (629.3788296)

{13-hydroxy-11-methoxy-9-[2-(3-methoxy-2-methylbut-1-en-1-yl)-1,3-oxazol-4-yl]-4,6-dimethyl-17-methylidene-7-oxo-8,19-dioxabicyclo[13.3.1]nonadecan-3-yl}oxyphosphonic acid

C30H48NO11P (629.2964827999999)

12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate

12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate

C39H51NO6 (629.3716185999999)

5-amino-6-({5-[(3-amino-6-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-5-(methylamino)cyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-2-(aminomethyl)oxane-3,4-diol

C24H47N5O14 (629.3119362)

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

C34H47NO10 (629.3199802)

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

C34H47NO10 (629.3199802)

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

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

C34H47NO10 (629.3199802)

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

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

C34H47NO10 (629.3199802)

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

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

C34H47NO10 (629.3199802)

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

C35H51NO9 (629.3563636)

(1s,4r,9r,10r,13r,14r)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C37H43NO8 (629.2988518000001)

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

C34H47NO10 (629.3199802)

[(1r,3s,4s,6s,9s,11s,13r,15s)-13-hydroxy-11-methoxy-9-{2-[(1e,3r)-3-methoxy-2-methylbut-1-en-1-yl]-1,3-oxazol-4-yl}-4,6-dimethyl-17-methylidene-7-oxo-8,19-dioxabicyclo[13.3.1]nonadecan-3-yl]oxyphosphonic acid

[(1r,3s,4s,6s,9s,11s,13r,15s)-13-hydroxy-11-methoxy-9-{2-[(1e,3r)-3-methoxy-2-methylbut-1-en-1-yl]-1,3-oxazol-4-yl}-4,6-dimethyl-17-methylidene-7-oxo-8,19-dioxabicyclo[13.3.1]nonadecan-3-yl]oxyphosphonic acid

C30H48NO11P (629.2964827999999)

(1s,2r,3r,4r,5r,6s,7s,11r,12r,13r,16r,17r,19s,20s,21r)-5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9,14-trimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate

(1s,2r,3r,4r,5r,6s,7s,11r,12r,13r,16r,17r,19s,20s,21r)-5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9,14-trimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate

C34H47NO10 (629.3199802)

(2s)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-4-(methylsulfanyl)butanoic acid

(2s)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-(3h-imidazol-4-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-4-(methylsulfanyl)butanoic acid

C30H43N7O6S (629.2995378)

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

C34H47NO10 (629.3199802)

(3s,6s,9s,21as)-3-[(2s)-butan-2-yl]-16-(3-chloro-2-hydroxypropyl)-1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

(3s,6s,9s,21as)-3-[(2s)-butan-2-yl]-16-(3-chloro-2-hydroxypropyl)-1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone

C29H48ClN5O8 (629.3191238)

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

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

C34H47NO10 (629.3199802)

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

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

C34H47NO10 (629.3199802)