Exact Mass: 582.2802

turrapubin F

(1S,4S,5S,6R,7R,8S,9S,10S)-8,15-diacetoxy-1,9-dibenzoyloxy-4,6-dihydroxy-dihydro-beta-agarofuran

13(S)-1beta-benzoyloxy-6alpha-acetoxy-7beta-isobutyroyloxy-8beta,13-epoxy-3-neocleroden-15,16-olide|scutebata S

xylopyrine-G

C34H38N4O5 (582.2842)

7beta,14beta,15beta-triacetoxy-3beta-benzoyloxy-9-oxojatropha-5E,11E-diene|euphornin N

1-O-deacetylohchinolide B

3-tigloylswietenolide

(12alphaH)-2alpha,10beta-diacetoxy-5alpha-cinnamoyloxy-9alpha,13alpha-epoxytax-4(20)-ene-11beta,13beta-diol

Val Phe Phe Asn Gly

Ala Gln Glu Val His

C24H38N8O9 (582.2762)

Lys Ser Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

Lys Ser Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

Lys Trp Ser Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

Lys Trp Tyr Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

Lys Tyr Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

Lys Tyr Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

Ser Lys Trp Tyr

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

Ser Lys Tyr Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

Ser Trp Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

Ser Trp Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

Ser Tyr Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

Ser Tyr Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

Trp Lys Ser Tyr

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

Trp Lys Tyr Ser

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

Trp Ser Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

Trp Ser Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

Trp Tyr Lys Ser

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-hydroxypropanoic acid

Trp Tyr Ser Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]hexanoic acid

Tyr Lys Ser Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

Tyr Lys Trp Ser

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

Tyr Ser Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

Tyr Ser Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

Tyr Trp Lys Ser

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxypropanoic acid

Tyr Trp Ser Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]hexanoic acid

VFFNG

Val Phe Phe Asn Gly

AQEVH

Ala Gln Glu Val His

C24H38N8O9 (582.2762)

PI(17:2(9Z,12Z)/0:0)

1-(9Z,12Z-heptadecadienoyl)-glycero-3-phospho-(1-myo-inositol)

LPI 17:2

1-(9Z,12Z-heptadecadienoyl)-glycero-3-phospho-(1-myo-inositol)

Hexapeptide 9

C24H38N8O9 (582.2762)

4-Morpholin-4-YL-piperidine-1-carboxylic acid [1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide

C31H42N4O5S (582.2876)

Ergotamine cation

C33H36N5O5+ (582.2716)

3-[(21S,22S)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-17,19,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-17,19,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C34H38N4O5 (582.2842)

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (9Z,12Z)-heptadeca-9,12-dienoate

2-Norberbamunine

C35H38N2O6 (582.273)

A benzylisoquinoline alkaloid that is berbamunine in which the methyl group is replaced with a hydrogen on one of the tetrahydroisoquinolinol rings.

ergotamine(1+)

C33H36N5O5 (582.2716)

A tertiary ammonium ion that is conjugate acid of ergotamine resulting from the protonation of the tertiary amino group; major species at pH 7.3.

DGMG 11:1

C26H46O14 (582.2887)

LPG 20:3;O3

PG 16:1/4:1;O2

PG 20:2;O2

ST 27:7;O3;GlcA

(1s,3s)-1-[(4-hydroxy-3-{4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-3-ol

C35H38N2O6 (582.273)

(1r,2r,5r,6r,10s,13s,14s,16s)-6-(furan-3-yl)-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2,3-dimethylbut-2-enoate

(1r,2r,5r,6r,10s,13s,14s,16s)-6-(furan-3-yl)-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2,3-dimethylbut-2-enoate

10beta-deacetylspicatine

10β-deacetylspicatine

{"Ingredient_id": "HBIN000068","Ingredient_name": "10beta-deacetylspicatine","Alias": "10\u03b2-deacetylspicatine","Ingredient_formula": "C33H42O9","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)OC(=O)C=CC5=CC=CC=C5)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26023;4772","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

azecin 2

{"Ingredient_id": "HBIN017442","Ingredient_name": "azecin 2","Alias": "NA","Ingredient_formula": "C33H42O9","Ingredient_Smile": "NA","Ingredient_weight": "582.689","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6456","PubChem_id": "NA","DrugBank_id": "NA"}

6-(furan-3-yl)-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2,3-dimethylbut-2-enoate

3a,4,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-9-oxo-1h,2h,3h,4h,5h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

(1s,2r,3ar,4r,5s,11r,13as)-3a,4,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-9-oxo-1h,2h,3h,4h,5h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

(1s,2s,3ar,4r,5r,11r,13as)-3a,4,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-9-oxo-1h,2h,3h,4h,5h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

(1r,2r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

(1r,2r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl 2-methylbut-2-enoate

(1s,2r,3ar,4r,5r,11r,13as)-3a,4,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-9-oxo-1h,2h,3h,4h,5h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

3-[20-(2-carboxyethyl)-10-ethyl-15-(1-hydroxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid

3-[20-(2-carboxyethyl)-10-ethyl-15-(1-hydroxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid

C34H38N4O5 (582.2842)

(1r,2r,3as,4r,5s,11s,13as)-3a,4,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-9-oxo-1h,2h,3h,4h,5h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

(1'r,2r,2'r,3'r,5's,8'r,9'r,10'r,13's)-2',13'-bis(acetyloxy)-9',10'-dihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-5'-yl (2z)-3-phenylprop-2-enoate

(1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,9-bis(acetyloxy)-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl 2-phenylacetate

(1s,2s,6r,8s,11s,12r,13s,16s,17s,19r,20s)-17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

(1s,2s,6r,8s,11s,12r,13s,16s,17s,19r,20s)-17-(acetyloxy)-8-(furan-3-yl)-19-hydroxy-1,9,11,16-tetramethyl-4-oxo-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

(1r,2r,3r,5s,8r,9r,10r,13s)-2,9,10-tris(acetyloxy)-5-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-13-yl benzoate

(1ar,3s,3ar,4r,5r,6r,7as)-5-(acetyloxy)-3-(furan-3-yl)-6-[(1s,6r)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl 2-methylpropanoate

(1ar,3s,3ar,4r,5r,6r,7as)-5-(acetyloxy)-3-(furan-3-yl)-6-[(1s,6r)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl 2-methylpropanoate

(1r,2r,5s,6r,13s,14s,16s)-6-(furan-3-yl)-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-14-yl 2,3-dimethylbut-2-enoate

(1r,2r,5s,6r,13s,14s,16s)-6-(furan-3-yl)-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-14-yl 2,3-dimethylbut-2-enoate