Exact Mass: 776.3884

Lyciumoside IV

C38H64O16 (776.4194)

Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside IV is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside IV is found in coffee and coffee products. Lyciumoside IV is a constituent of Lycium chinense (Chinese boxthorn).

PZ-Peptide

C38H52N10O8 (776.3969)

Ilekudinoside K

C42H64O13 (776.4347)

disorazole D3

C43H56N2O11 (776.3884)

17-O-alpha-L-rhamnopyranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside-6E,10E,14Z-(3S)-19-hydroxygeranyllinalool|capsianoside XIV

C38H64O16 (776.4194)

Furobiclausarin

C48H56O9 (776.3924)

C41H60O14

C41H60O14 (776.3983)

C36H56N8O11

C36H56N8O11 (776.4068)

disorazole G3

C43H56N2O11 (776.3884)

Atratoside A

C42H64O13 (776.4347)

3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-diene-2-O-beta-glucopyranoside pentaacetate

C41H60O14 (776.3983)

5alpha-acetyloxy-3beta,7beta-diisobutanoyloxy-8alpha,9alpha-dinicotinyloxy-15beta-hydroxyjatropha-6(17),11E-diene-14-one|euphodendrophane L

C42H52N2O12 (776.352)

ursa-1,12,19-trien-3-ol-28-oic acid-3beta-D-glucopyranosyl-(4-1)-beta-D-glucopyranoside

C42H64O13 (776.4347)

Neomycin B glucoside

C29H56N6O18 (776.3651)

MCULE-5940942593

C40H56O15 (776.3619)

20-O-benzoyl-12-O-cinnamoyl-3beta,5alpha,8beta,12beta,14beta,17beta,20-heptahydroxy-(20S)-pregn-6-enyl-3-O-beta-D-cymaropyranoside|gymnepregoside H

C44H56O12 (776.3772)

DC92-B

C42H52N2O12 (776.352)

Glu Phe Tyr Tyr Arg

C38H48N8O10 (776.3493)

Hexsose + Hexsose-deoxyHexose + C20H32

C38H64O16 (776.4194)

Annotation level-3

EFYYR

C38H48N8O10 (776.3493)

Lyciumoside IV

C38H64O16 (776.4194)

An acyclic diterpene glycoside consisting of a 20-hydroxygeranyllinalool skeleton conjugated to a glucosyl residue at C-20 and a rhamnosylglucosyl moiety at C-3.

As-PL(20:0/0:0)

C33H66O13PAs (776.3457)

LPIM1 19:0

C34H65O17P (776.3959)

2,5-Bis(2-ethylhexyl)-3,6-bis(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)pyrrolo[3,4-c ]pyrrole-1,4(2H ,5H )-dione

C42H62B2N2O6S2 (776.4235)

Pz-Pro-Leu-Gly-Pro-D-Arg-OH trifluoroacetate salt

C38H52N10O8 (776.3969)

Neurotensin (1-6) trifluoroacetate salt

C35H52N8O12 (776.3705)

[(2R,3R,6R)-6-[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C41H60O12S (776.3805)

[(2R,3R,6R)-6-[3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C41H60O12S (776.3805)

SMGDG O-30:4;O

C39H68O13S (776.438)

SQDG 30:3;O

C39H68O13S (776.438)

SQDG 32:9

C41H60O12S (776.3805)

PG 22:6/13:4;O2

C41H61O12P (776.39)

PG 35:10;O2

C41H61O12P (776.39)

PI O-29:5;O2

C38H65O14P (776.4112)

PI P-16:0/13:4;O2

C38H65O14P (776.4112)

PI P-16:1/13:3;O2

C38H65O14P (776.4112)

PI P-20:0/9:4;O2

C38H65O14P (776.4112)

PI 16:1/13:3;O

C38H65O14P (776.4112)

PI 18:2/11:2;O

C38H65O14P (776.4112)

PI 20:2/8:3;O2

C37H61O15P (776.3748)

PI 20:3/7:3;O3

C36H57O16P (776.3384)

PI 20:3/8:2;O2

C37H61O15P (776.3748)

PI 20:3/9:1;O

C38H65O14P (776.4112)

PI 20:4/7:2;O3

C36H57O16P (776.3384)

PI 20:4/8:1;O2

C37H61O15P (776.3748)

PI 22:1/7:3;O

C38H65O14P (776.4112)

PI 27:6;O3

C36H57O16P (776.3384)

PI 28:5;O2

C37H61O15P (776.3748)

PI 29:4;O

C38H65O14P (776.4112)

2-({2-[({1-[2-({2-[(2-{[2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-1,3-dihydroxybutylidene}amino)-4-methylpentanoic acid

C36H56N8O11 (776.4068)

13,19-dihydroxy-3,3,29,29-tetramethyl-6,10,22,26-tetrakis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²⁷.0²⁰,²⁵]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione

C48H56O9 (776.3924)

(4r,6e,8z,10e,12r,20s,22z,24r,25s,26e,28z)-24,25-dihydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)

(1s,2s,15r,17s)-13,19-dihydroxy-3,3,29,29-tetramethyl-6,10,22,26-tetrakis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²⁷.0²⁰,²⁵]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione

C48H56O9 (776.3924)

atratoside a

C42H64O13 (776.4347)

{"Ingredient_id": "HBIN017323","Ingredient_name": "atratoside a","Alias": "NA","Ingredient_formula": "C42H64O13","Ingredient_Smile": "CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC(C6=O)(C)C7=C(OC=C7)C)C)C)OC)O","Ingredient_weight": "776.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01282","TCMID_id": "1993","TCMSP_id": "NA","TCM_ID_id": "6483","PubChem_id": "101244249","DrugBank_id": "NA"}

(1r,4s,5r,8r,10s,13s,14r,19s,20s)-10-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-19-hydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosa-15,17-dien-22-one

C42H64O13 (776.4347)

(10e)-24,25-dihydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)

(6r,7r)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)

2-[(14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C38H64O16 (776.4194)

(2r,3r,4s,5s,6r)-2-{[(2z,6e,10e,14s)-14-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C38H64O16 (776.4194)

(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

C41H60O14 (776.3983)

3,4,5-trihydroxy-6-[(5,12,16,23,27-pentahydroxy-2,13,24-trioxo-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,27-trien-1-yl)oxy]oxane-2-carboxylic acid

C33H56N6O15 (776.3803)

(4s,6z,8z,10e,12r,20r,22z,24r,25s,26e,28z)-24,25-dihydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)

(2r,4as,4br,6r,7r,10ar)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)

24,25-dihydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)

(4s,6r,8z,10z,12e,14r,22r,24r,26z,28r,29s,30e,32z)-6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis[(1e)-prop-1-en-1-yl]-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

C43H56N2O11 (776.3884)

(8z,10z,26z,30z,32z)-6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis[(1e)-prop-1-en-1-yl]-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

C43H56N2O11 (776.3884)

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s,4s,7r,8s,9s,10s,12r,13r,16r,17s,18r)-16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

C40H56O15 (776.3619)

6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis(prop-1-en-1-yl)-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

C43H56N2O11 (776.3884)

(2s)-2-{[(2s,3r)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-[(2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1,3-dihydroxybutylidene]amino}-4-methylpentanoic acid

C36H56N8O11 (776.4068)

5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

C41H60O14 (776.3983)

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

C40H56O15 (776.3619)

6-hydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5,12,16,23,27-pentahydroxy-2,13,24-trioxo-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,27-trien-1-yl)oxy]oxane-2-carboxylic acid

C33H56N6O15 (776.3803)

(2s,4as,4br,6r,7r,10ar)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)

(6z,8z,22z,26z,28z)-24,25-dihydroxy-4,20-bis[(4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)