Exact Mass: 627.3672

Exact Mass Matches: 627.3672

Found 131 metabolites which its exact mass value is equals to given mass value 627.3672, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Boc-val-pro-arg-mca

tert-butyl N-{1-[2-({4-[(diaminomethylidene)amino]-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

C31H45N7O7 (627.338)


   

Bulleyaconitine A

11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-8-yl acetate

C35H49NO9 (627.3407)


   

bulleyaconitine A

[11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

C35H49NO9 (627.3407)


Bulleyaconitine a is a diterpene alkaloid. It is functionally related to an aconitane. Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.

   

Bulleyaconi

[11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

C35H49NO9 (627.3407)


Bulleyaconitine a is a diterpene alkaloid. It is functionally related to an aconitane. Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.

   

Liaconitine C

Liaconitine C

C35H49NO9 (627.3407)


   
   
   

Foresaconitine

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

C35H49NO9 (627.3407)


Foresaconitine is a diterpene alkaloid with formula C35H49NO9 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite and a xenobiotic. It is an acetate ester, a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a tertiary amino compound, a benzoate ester and an aromatic ether. It derives from a hydride of an aconitane. CID 20055981 is a natural product found in Aconitum hemsleyanum, Aconitum forrestii, and Aconitum carmichaelii with data available. A diterpene alkaloid with formula C35H49NO9 that is isolated from several Aconitum species.

   
   
   
   
   

anisoezochasmaconitine

anisoezochasmaconitine

C35H49NO9 (627.3407)


   

Pro Glu Arg Val Lys

Pro Glu Arg Val Lys

C27H49N9O8 (627.3704)


   

RLLNL

Arg-Leu-Leu-Asn-Leu

C28H53N9O7 (627.4068)


   

PERVK

Pro Glu Arg Val Lys

C27H49N9O8 (627.3704)


   

GAMBOGIC ACID AMIDE

GAMBOGIC ACID AMIDE

C38H45NO7 (627.3196)


   

veratrine hydrochloride

veratrine hydrochloride

C32H50ClNO9 (627.3174)


   

Bemotrizinol

Bemotrizinol

C38H49N3O5 (627.3672)


C1892 - Chemopreventive Agent > C851 - Sunscreen

   

Tetrabenzyl voglibose

Tetrabenzyl voglibose

C38H45NO7 (627.3196)


   

5-Hydroxy-6-S-glutathionyl-7,9,11-eicosatrienoic acid

5-Hydroxy-6-S-glutathionyl-7,9,11-eicosatrienoic acid

C30H49N3O9S (627.3189)


   

[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxydodecanoyl]amino]-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydecanoate

[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxydodecanoyl]amino]-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydecanoate

C28H54NO12P (627.3383)


   
   

Lnape 22:4/N-6:0

Lnape 22:4/N-6:0

C33H58NO8P (627.39)


   

Lnape 4:0/N-24:4

Lnape 4:0/N-24:4

C33H58NO8P (627.39)


   
   

Lnape 2:0/N-26:4

Lnape 2:0/N-26:4

C33H58NO8P (627.39)


   

Lnape 26:4/N-2:0

Lnape 26:4/N-2:0

C33H58NO8P (627.39)


   

Lnape 8:0/N-20:4

Lnape 8:0/N-20:4

C33H58NO8P (627.39)


   

Lnape 24:4/N-4:0

Lnape 24:4/N-4:0

C33H58NO8P (627.39)


   
   
   
   

Lnape 20:4/N-8:0

Lnape 20:4/N-8:0

C33H58NO8P (627.39)


   

Lnape 6:0/N-22:4

Lnape 6:0/N-22:4

C33H58NO8P (627.39)


   

SHexCer 10:0;2O/12:1;O

SHexCer 10:0;2O/12:1;O

C28H53NO12S (627.3288)


   

SHexCer 10:1;2O/12:0;O

SHexCer 10:1;2O/12:0;O

C28H53NO12S (627.3288)


   

Lnape 10:0/N-18:4

Lnape 10:0/N-18:4

C33H58NO8P (627.39)


   

Lnape 18:4/N-10:0

Lnape 18:4/N-10:0

C33H58NO8P (627.39)


   

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

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

C37H57NO5S (627.3957)


   

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

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

C31H50NO10P (627.3172)


   

2-amino-3-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

2-amino-3-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

C31H50NO10P (627.3172)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C33H58NO8P (627.39)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C33H58NO8P (627.39)


   

2-amino-3-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H50NO10P (627.3172)


   

[3-heptanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[3-heptanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C33H58NO8P (627.39)


   

[2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-pentanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-pentanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C33H58NO8P (627.39)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate

C33H58NO8P (627.39)


   

[1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

[1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

C33H58NO8P (627.39)


   

[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-nonanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-nonanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C33H58NO8P (627.39)


   

[2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxy-3-propanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxy-3-propanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C33H58NO8P (627.39)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

C33H58NO8P (627.39)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

C33H58NO8P (627.39)


   

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate

C33H58NO8P (627.39)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C33H58NO8P (627.39)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6E,9E)-dodeca-6,9-dienoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6E,9E)-dodeca-6,9-dienoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

C33H58NO8P (627.39)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-dodec-5-enoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-dodec-5-enoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

C33H58NO8P (627.39)


   

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate

C33H58NO8P (627.39)


   

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate

C33H58NO8P (627.39)


   

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-decanoyloxypropan-2-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate

C33H58NO8P (627.39)


   

phosphatidylethanolamine 28:4

phosphatidylethanolamine 28:4

C33H58NO8P (627.39)


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 28 carbons in total with 4 double bonds.

   

leukotriene C3

leukotriene C3

C30H49N3O9S (627.3189)


A leukotriene that is (5S,7E,9E,11Z)-5-hydroxyicosa-7,9,11-trienoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage.

   

MePC(24:4)

MePC(4:0_20:4)

C33H58NO8P (627.39)


Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved

   

PS(25:5)

PS(14:1_11:4)

C31H50NO10P (627.3172)


Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved

   
   
   

PC O-25:5;O

PC O-25:5;O

C33H58NO8P (627.39)


   

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

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

C33H58NO8P (627.39)


   
   
   
   
   
   
   

PE O-28:5;O

PE O-28:5;O

C33H58NO8P (627.39)


   

PE P-16:1/12:3;O

PE P-16:1/12:3;O

C33H58NO8P (627.39)


   

PE P-18:1/9:4;O2

PE P-18:1/9:4;O2

C32H54NO9P (627.3536)


   

PE P-20:1/8:3;O

PE P-20:1/8:3;O

C33H58NO8P (627.39)


   
   
   
   
   
   
   
   
   

PE 10:0_18:4

PE 10:0_18:4

C33H58NO8P (627.39)


   

PE 24:4/4:0

PE 24:4/4:0

C33H58NO8P (627.39)


   
   
   
   
   
   

ST 23:2;O7;HexNAc

ST 23:2;O7;HexNAc

C31H49NO12 (627.3255)


   

ST 24:1;O6;HexNAc

ST 24:1;O6;HexNAc

C32H53NO11 (627.3618)


   

ST 25:0;O5;HexNAc

ST 25:0;O5;HexNAc

C33H57NO10 (627.3982)


   

ST 27:6;O4;HexNAc

ST 27:6;O4;HexNAc

C35H49NO9 (627.3407)


   

ST 28:5;O3;HexNAc

ST 28:5;O3;HexNAc

C36H53NO8 (627.3771)


   

ST 29:4;O2;HexNAc

ST 29:4;O2;HexNAc

C37H57NO7 (627.4135)


   

Gambogic amide

Gambogic amide

C38H45NO7 (627.3196)


Gambogic amide is a potent and selective agonist of TrkA and also induces its tyrosine phosphorylation and activation of downstream signaling, including Akt and MAPK. Gambogic amide specifically interacts with the cytoplasmic juxtamembrane domain of the TrkA receptor and triggers its dimerization, leading to activation. Gambogic amide has neuroprotective activity preventing glutamate-induced neuronal cell death. Gambogic amide has improved efficacy in a transient middle cerebral artery occlusion model of stroke and could be used to study neurodegenerative diseases and stroke[1].

   

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

C35H49NO9 (627.3407)


   

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8z)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8z)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

C35H49NO9 (627.3407)


   

methyl 2-[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

methyl 2-[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

C35H49NO9 (627.3407)


   

{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid

{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid

C35H49NO9 (627.3407)


   

(2s,3s)-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-methylpentanimidic acid

(2s,3s)-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-methylpentanimidic acid

C34H53N5O6 (627.3996)


   

13-deoxo-3 alpha-acetyloxytaxine b

13-deoxo-3α-acetyloxytaxine b

C35H49NO9 (627.3407)


{"Ingredient_id": "HBIN001166","Ingredient_name": "13-deoxo-3 alpha-acetyloxytaxine b","Alias": "13-deoxo-3\u03b1-acetyloxytaxine b","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30861;5139","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2'beat,7beta,9alpha-trisdeacetylaustrospicatine

NA

C35H49NO9 (627.3407)


{"Ingredient_id": "HBIN005340","Ingredient_name": "2'beat,7beta,9alpha-trisdeacetylaustrospicatine","Alias": "NA","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32157","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2'β,7β,9α-trisdeacetylaustrospicatine

NA

C35H49NO9 (627.3407)


{"Ingredient_id": "HBIN005381","Ingredient_name": "2'\u03b2,7\u03b2,9\u03b1-trisdeacetylaustrospicatine","Alias": "NA","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22014","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

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

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

C35H49NO9 (627.3407)


   

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

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

C35H49NO9 (627.3407)


   

(2s,3r)-n-[(2s,3r)-1-[(3s,7s,10s,13e)-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-methylpentanimidic acid

(2s,3r)-n-[(2s,3r)-1-[(3s,7s,10s,13e)-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-methylpentanimidic acid

C34H53N5O6 (627.3996)


   

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

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

C35H49NO9 (627.3407)


   

n-[5,8,11,14-tetrahydroxy-9,12-bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-15-yl]decanimidic acid

n-[5,8,11,14-tetrahydroxy-9,12-bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-15-yl]decanimidic acid

C30H53N5O9 (627.3843)


   

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

C35H49NO9 (627.3407)


   

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

C35H49NO9 (627.3407)


   

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

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

C35H49NO9 (627.3407)


   

methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

C35H49NO9 (627.3407)


   

(2s)-n-[(2s,3s)-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]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3,3-dimethylbutanimidic acid

(2s)-n-[(2s,3s)-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]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3,3-dimethylbutanimidic acid

C34H53N5O6 (627.3996)


   

[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

C35H49NO9 (627.3407)


   

(5s,6s,8r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(5s,6s,8r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

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

C35H49NO9 (627.3407)


   

(1s,11s,12r,13r,14e,16s,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

(1s,11s,12r,13r,14e,16s,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

[C40H43N4O3]+ (627.3335)


   

[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylpentanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylpentanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

C31H50NO10P (627.3172)


   

n-[(6r,9s,12r,15s,16r)-5,8,11,14-tetrahydroxy-9,12-bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-15-yl]decanimidic acid

n-[(6r,9s,12r,15s,16r)-5,8,11,14-tetrahydroxy-9,12-bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-15-yl]decanimidic acid

C30H53N5O9 (627.3843)


   

methyl 2-[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

methyl 2-[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

C35H49NO9 (627.3407)


   

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

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

C35H49NO9 (627.3407)


   

(1s,11s,12r,13r,14z,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

(1s,11s,12r,13r,14z,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

[C40H43N4O3]+ (627.3335)


   

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

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

C35H49NO9 (627.3407)


   

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

C35H49NO9 (627.3407)


   

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

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

C35H49NO9 (627.3407)