Exact Mass: 643.3848988

Exact Mass Matches: 643.3848988

Found 163 metabolites which its exact mass value is equals to given mass value 643.3848988, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Buprenorphine glucuronide

(2S,3S,4S,5R,6S)-6-{[(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11-trien-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C35H49NO10 (643.3356294)


Buprenorphine glucuronide is a metabolite of buprenorphine. Buprenorphine is a semi-synthetic opioid that is used to treat opioid addiction in higher dosages (>2 mg), to control moderate acute pain in non-opioid-tolerant individuals in lower dosages, and to control moderate chronic pain in dosages ranging from 20–70 µg/hour. (Wikipedia)

   

Acetyl-pepstatin

4-(2-{4-[2-(2-acetamido-3-methylbutanamido)-3-methylbutanamido]-3-hydroxy-6-methylheptanamido}propanamido)-3-hydroxy-6-methylheptanoic acid

C31H57N5O9 (643.4156072000001)


   

Buprenorphine 3-beta-D-Glucuronide

6-{[3-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C35H49NO10 (643.3356294)


   

Crassicauline A

[(1S,4R,5S,8R,10R,13S)-8-acetyloxy-11-ethyl-5-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

C35H49NO10 (643.3356294)


A diterpene alkaloid with formula C35H49NO10 that is isolated from several Aconitum species. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid [8-Acetyloxy-11-ethyl-5-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 is a natural product found in Aconitum episcopale with data available. Crassicauline A (Crassicaulin A) is a bioactive alkaloid found in roots of Aconitum carmichaeli. Crassicauline A (Crassicaulin A) possesses feeding deterrent activity against T. castaneum adults with an EC50 of 1134.5 ppm[1][2]. Crassicauline A (Crassicaulin A) is a bioactive alkaloid found in roots of Aconitum carmichaeli. Crassicauline A (Crassicaulin A) possesses feeding deterrent activity against T. castaneum adults with an EC50 of 1134.5 ppm[1][2].

   
   
   
   
   
   
   
   

Buprenorphine 3-O-glucuronide

Buprenorphine 3-O-glucuronide

C35H49NO10 (643.3356294)


   

EQLVR

Glu Gln Leu Val Arg

C27H49N9O9 (643.3653064)


   

DIQLR

Asp Ile Gln Leu Arg

C27H49N9O9 (643.3653064)


   

Glycocholic acid 3-glucuronide

N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine 3-D-glucuronide

C32H53NO12 (643.3567578)


   

Am-Hex-LPE 18:0

N-(1-deoxyfructosyl)-1-octadecanoyl-sn-glycero-3-phosphoethanolamine

C29H58NO12P (643.3696438)


   

Am-Hex-LPE 36:0

N-(1-deoxyfructosyl)-2-octadecanoyl-sn-glycero-3-phosphoethanolamine

C29H58NO12P (643.3696438)


   

Cholest-5-en-3-ol (3b)-,3-[4-[bis(2-chloroethyl)amino]benzeneacetate]

Cholest-5-en-3-ol (3b)-,3-[4-[bis(2-chloroethyl)amino]benzeneacetate]

C39H59Cl2NO2 (643.3922614)


   
   
   

Buprenorphine 3-beta-D-Glucuronide

Buprenorphine 3-beta-D-Glucuronide

C35H49NO10 (643.3356294)


   

Arenamide B

Arenamide B

C34H53N5O7 (643.3944787999999)


A 19-membered cyclodepsipeptide that is isolated from the fermentation broth of marine actinomycete Salinispora arenicola; it has been found to block tumour necrosis factor (TNF)-induced activation of NFkappaB-Luc human embryonic kidney cells.

   

[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate

[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate

C33H58NO9P (643.3848988)


   

N-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

N-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

C37H49N5O5 (643.3733503999999)


   

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

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

C35H53N3O6S (643.3654878)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

HexCer 12:1;3O/16:2;(2OH)

HexCer 12:1;3O/16:2;(2OH)

C34H61NO10 (643.4295246)


   

(4E,8E,12E)-2-[[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]amino]-3-hydroxyhexadeca-4,8,12-triene-1-sulfonic acid

(4E,8E,12E)-2-[[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]amino]-3-hydroxyhexadeca-4,8,12-triene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

(E)-2-[[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoyl]amino]-3-hydroxydodec-4-ene-1-sulfonic acid

(E)-2-[[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoyl]amino]-3-hydroxydodec-4-ene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

(4E,8E,12E)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]octadeca-4,8,12-triene-1-sulfonic acid

(4E,8E,12E)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]octadeca-4,8,12-triene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

(4E,8E,12E)-3-hydroxy-2-[[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]amino]tetradeca-4,8,12-triene-1-sulfonic acid

(4E,8E,12E)-3-hydroxy-2-[[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]amino]tetradeca-4,8,12-triene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

(4E,8E)-3-hydroxy-2-[[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]amino]tetradeca-4,8-diene-1-sulfonic acid

(4E,8E)-3-hydroxy-2-[[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]amino]tetradeca-4,8-diene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

(4E,8E,12E)-3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]icosa-4,8,12-triene-1-sulfonic acid

(4E,8E,12E)-3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]icosa-4,8,12-triene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

(4E,8E)-2-[[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoyl]amino]-3-hydroxydodeca-4,8-diene-1-sulfonic acid

(4E,8E)-2-[[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoyl]amino]-3-hydroxydodeca-4,8-diene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

(4E,8E)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-hydroxyhexadeca-4,8-diene-1-sulfonic acid

(4E,8E)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-hydroxyhexadeca-4,8-diene-1-sulfonic acid

C38H61NO5S (643.4270216)


   

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

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

C33H58NO9P (643.3848988)


   

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

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

C33H58NO9P (643.3848988)


   

HexCer 15:2;3O/13:1;(2OH)

HexCer 15:2;3O/13:1;(2OH)

C34H61NO10 (643.4295246)


   

HexCer 16:2;3O/12:1;(2OH)

HexCer 16:2;3O/12:1;(2OH)

C34H61NO10 (643.4295246)


   

HexCer 14:2;3O/14:1;(2OH)

HexCer 14:2;3O/14:1;(2OH)

C34H61NO10 (643.4295246)


   

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

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

C32H54NO10P (643.3485154)


   

2-amino-3-[[3-hexanoyloxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-hexanoyloxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H54NO10P (643.3485154)


   

2-amino-3-[hydroxy-[2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-octanoyloxypropoxy]phosphoryl]oxypropanoic acid

2-amino-3-[hydroxy-[2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-octanoyloxypropoxy]phosphoryl]oxypropanoic acid

C32H54NO10P (643.3485154)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate

C34H62NO8P (643.4212822)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C34H62NO8P (643.4212822)


   

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

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

C32H54NO10P (643.3485154)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C34H62NO8P (643.4212822)


   

3-[[3-acetyloxy-2-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid

3-[[3-acetyloxy-2-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid

C32H54NO10P (643.3485154)


   

[3-butanoyloxy-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-butanoyloxy-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C34H62NO8P (643.4212822)


   

[3-decanoyloxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-decanoyloxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C34H62NO8P (643.4212822)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

C34H62NO8P (643.4212822)


   

[3-hexanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-hexanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C34H62NO8P (643.4212822)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate

C34H62NO8P (643.4212822)


   

[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-octanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-octanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C34H62NO8P (643.4212822)


   

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate

C34H62NO8P (643.4212822)


   

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (6E,9E,12E)-octadeca-6,9,12-trienoate

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (6E,9E,12E)-octadeca-6,9,12-trienoate

C34H62NO8P (643.4212822)


   

[3-[(E)-dec-4-enoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-[(E)-dec-4-enoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C34H62NO8P (643.4212822)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

C34H62NO8P (643.4212822)


   

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-undecanoyloxypropyl] (6E,9E,12E)-octadeca-6,9,12-trienoate

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-undecanoyloxypropyl] (6E,9E,12E)-octadeca-6,9,12-trienoate

C34H62NO8P (643.4212822)


   

[3-decanoyloxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-decanoyloxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C34H62NO8P (643.4212822)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-tridec-8-enoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-tridec-8-enoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

C34H62NO8P (643.4212822)


   

(2S)-2-amino-3-[[3-[(E)-dec-4-enoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-[(E)-dec-4-enoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H54NO10P (643.3485154)


   

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-undecanoyloxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-undecanoyloxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate

C34H62NO8P (643.4212822)


   

(2S)-2-amino-3-[[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H54NO10P (643.3485154)


   

(2S)-2-amino-3-[[3-decanoyloxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-decanoyloxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H54NO10P (643.3485154)


   

Buprenorphine glucuronide

Buprenorphine glucuronide

C35H49NO10 (643.3356294)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

MePC(25:3)

MePC(15:0_10:3)

C34H62NO8P (643.4212822)


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8-(acetyloxy)-11-ethyl-5-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

8-(acetyloxy)-11-ethyl-5-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

C35H49NO10 (643.3356294)


   

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

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

C34H53N5O7 (643.3944787999999)


   

4-methylaconitane-1,3,6,8,14,16,18-heptol; (1α,3α,6α,14α,16β)-form,o1,o6,o16,o18-tetra-me,n-et,14-(4-methoxybenzoyl),8-ac

NA

C35H49NO10 (643.3356294)


{"Ingredient_id": "HBIN010676","Ingredient_name": "4-methylaconitane-1,3,6,8,14,16,18-heptol; (1\u03b1,3\u03b1,6\u03b1,14\u03b1,16\u03b2)-form,o1,o6,o16,o18-tetra-me,n-et,14-(4-methoxybenzoyl),8-ac","Alias": "NA","Ingredient_formula": "C35H49NO10","Ingredient_Smile": "NA","Ingredient_weight": "643.76","OB_score": "NA","CAS_id": "1361-96-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7784","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,2r,3r,4s,5s,6s,8r,9s,10s,13r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5-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

(1r,2r,3r,4s,5s,6s,8r,9s,10s,13r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5-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

C35H49NO10 (643.3356294)


   

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

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

C35H49NO10 (643.3356294)


   

(1s,2s,6s,9s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

(1s,2s,6s,9s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

C35H49NO10 (643.3356294)


   

(2r,3r,5s,6s,8r,13s,17r)-8-(acetyloxy)-11-ethyl-5-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

(2r,3r,5s,6s,8r,13s,17r)-8-(acetyloxy)-11-ethyl-5-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

C35H49NO10 (643.3356294)


   

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

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

C34H53N5O7 (643.3944787999999)


   

(1s,2r,3r,4r,5s,6s,8r,9r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5-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,4r,5s,6s,8r,9r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5-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

C35H49NO10 (643.3356294)


   

10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

C35H49NO10 (643.3356294)


   

(1s,2r,6s,9s,10s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

(1s,2r,6s,9s,10s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

C35H49NO10 (643.3356294)


   

3-benzyl-19-(hexan-2-yl)-5,8,11,14,17-pentahydroxy-12-isopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

3-benzyl-19-(hexan-2-yl)-5,8,11,14,17-pentahydroxy-12-isopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C34H53N5O7 (643.3944787999999)


   

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

C35H49NO10 (643.3356294)


   

2-[({1-[2-(2-{[2-(dimethylamino)-3-methylpentanoyl]oxy}-n,3-dimethylpentanamido)-3-methylpentanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-3-phenylpropanimidic acid

2-[({1-[2-(2-{[2-(dimethylamino)-3-methylpentanoyl]oxy}-n,3-dimethylpentanamido)-3-methylpentanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-3-phenylpropanimidic acid

C35H57N5O6 (643.4308622000001)


   

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

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

C34H53N5O7 (643.3944787999999)


   

(1s,5s,8r,10r,13s)-8-(acetyloxy)-11-ethyl-5-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,5s,8r,10r,13s)-8-(acetyloxy)-11-ethyl-5-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

C35H49NO10 (643.3356294)


   

(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate

C35H49NO10 (643.3356294)


   

(2s)-2-({[(2s)-1-[(2s,3s)-2-[(2s,3s)-2-{[(2s,3s)-2-(dimethylamino)-3-methylpentanoyl]oxy}-n,3-dimethylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-phenylpropanimidic acid

(2s)-2-({[(2s)-1-[(2s,3s)-2-[(2s,3s)-2-{[(2s,3s)-2-(dimethylamino)-3-methylpentanoyl]oxy}-n,3-dimethylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-phenylpropanimidic acid

C35H57N5O6 (643.4308622000001)


   

(3s,4s)-4-{[(2s)-2-{[(3s,4s)-1,3-dihydroxy-4-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-methylbutylidene]amino}-3-methylbutylidene]amino}-6-methylheptylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxy-6-methylheptanoic acid

(3s,4s)-4-{[(2s)-2-{[(3s,4s)-1,3-dihydroxy-4-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-methylbutylidene]amino}-3-methylbutylidene]amino}-6-methylheptylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxy-6-methylheptanoic acid

C31H57N5O9 (643.4156072000001)