TCMBANKIN000040 |
jujuboside a |
jujuboside A; JuA; Jujuboside A1; 2-[(4-{[4,5-DIHYDROXY-6-({[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)-3-[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]OXAN-2-YL]OXY}-5-HYDROXY-2-{[16-HYDROXY-2,6,6,10,16-PENTAMETHYL-18-(2-METHYLPROP-1-EN-1-YL)-19,21-DIOXAHEXACYCLO[18.2.1.0(1),(1)?.0(2),(1)(1).0?,(1)?.0(1)?,(2)?]TRICOSAN-7-YL]OXY}OXAN-3-YL)OXY]-6-METHYLOXANE-3,4,5-TRIOL; 2-[(4-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0;{1,14}.0;{2,11}.0;{5,10}.0;{15,20}]tricosan-7-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol |
C58H94O26 |
1207.3 g/mol |
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)O)O |
TCMBANKIN002550 |
leucocyanidin |
(2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,4,5,7-TETROL; ZINC4096940; (2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,4alpha,5,7-tetrol; 867061-09-4 |
C15H14O7 |
306.27 g/mol |
C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O |
TCMBANKIN002615 |
schisanlactone E |
schisanlactone e |
C30H44O4 |
468.67 |
CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC45C3CCC(C4(C5)CCC(=O)O)C(=C)C)C)C |
TCMBANKIN004857 |
sorbitol |
S0900_SIGMA; 8036-93-9; LS-188010; S8143_SIGMA; 85529_FLUKA; Sorbitol FP; 8013-15-8; 15060-73-8; 63800-20-4; 3959-53-3; Sorbitol F solution; Karion instant; S7547_SIGMA; CCRIS 1898; S6021_SIGMA; Multitol; FEMA No. 3029; 47841_SUPELCO; NSC 25944; D00096; EINECS 200-061-5; 36134-87-9; 75398-79-7; Neosorb P 20/60; CHEBI:17924; W302902_ALDRICH; Neosorb 70/02; Hexahydric alcohol; Sorbitol (NF); Foodol D 70; D-Sorbit; Neosorb P 60; 8045-74-7; SOR; Glucarine; Sorbitol solutions; 8046-05-7; Sionit K; D-Sorbitol (JP15); 97336_FLUKA; ZINC02042995; 1,2,3,4,5,6-Hexanehexol; S1876_SIGMA; Sorbitol F; 309532_ALDRICH; Neosorb 20/60DC; 8014-89-9; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; Sorbitol 3% in plastic container; S3889_SIGMA; 8042-39-5; Sorbitol 3% in plastic container (TN); HSDB 801; AI3-19424; (-)-Sorbitol; D-Sorbite; Neosorb 70/70; Karion (carbohydrate); 98201-93-5 |
C6H14O6 |
182.17 |
C(C(C(C(C(CO)O)O)O)O)O |
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
TCMBANKIN011889 |
angusifolin B |
|
|
562.61 |
|
TCMBANKIN013261 |
ceanothic acid |
NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid; (1R,2R,5S,8R,14R,15R,16S)-16-HYDROXY-1,2,14,17,17-PENTAMETHYL-8-(PROP-1-EN-2-YL)PENTACYCLO[11.7.0.0(2),(1)?.0?,?.0(1)?,(1)?]ICOSANE-5,15-DICARBOXYLIC ACID; ACon0_000328; ACon1_000054; MolPort-001-741-019; ceanothicacid; NCGC00168838-01; NP-002508; MEGxp0_000866 |
C30H46O5 |
486.68 |
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C(=O)O)C)C)C(=O)O |
TCMBANKIN014614 |
jujuboside b |
jujuboside B; DTXSID80670023; AKOS015965496; Jujuboside-B; JujubosideB; AN-40319; PUBCHEM_45358134; AC-20265 |
C52H84O21 |
1045.2 g/mol |
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(C5(CCC4C3(C)C)C)CC78C6C(CC(O7)(OC8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)O)O)O)O)O)O |
TCMBANKIN016581 |
neokadsuranic acid C |
neokadsuranicacid c; neokadsuranic acid c; AC1NSZ1V; (Z)-6-[(11bS)-4,4,6b,11b-tetramethyl-10-methylidene-3-oxo-1,2,4a,5,6,7,8,9,10a,11-decahydrobenzo[a]fluoren-9-yl]-2-methylhept-2-enoic acid |
C30H46O4 |
470.68 |
CC(CCC=C(C)C(=O)O)C1CCC2(C(C1(C)O)CC3=C2CCC4C3(CCC(=O)C4(C)C)C)C |
TCMBANKIN025521 |
angusifolin C |
|
|
520.57 |
|
TCMBANKIN031144 |
Neokadsuranic acid B |
neokadsuranic acid b; neokadsuranic acid B; neokadsuranicacid b |
C30H44O3 |
452.7 g/mol |
CC(CCC=C(C)C(=O)O)C1CCC2(C(C1=C)CC3=C2CCC4C3(CCC(=O)C4(C)C)C)C |
TCMBANKIN031921 |
leucodelphinidin |
Leucodelphinidin; CHEMBL460265 |
C15H14O8 |
322.27 |
C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O |
TCMBANKIN034419 |
kadsurin |
Kadsurin; 51670-40-7; [tetramethoxy(dimethyl)[?]yl] acetate; Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-8-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, acetate, stereoisomer (VAN) |
C25H30O8 |
458.5 |
CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)OC)OC)OC)OC |
TCMBANKIN035108 |
ebelin lactone |
|
C30H46O3 |
454.7 g/mol |
CC(=CC=CC(=CC1CCC2C3(CCC(C(C3CCC2(C14CC(=O)OC4)C)(C)C)O)C)C)C |
TCMBANKIN035698 |
angusifolin A |
|
|
624.68 |
|
TCMBANKIN037373 |
Heteroclitin D |
heteroclitin d |
|
482.52 |
|
TCMBANKIN037727 |
Changnanic acid |
changnanicacid |
|
468.67 |
|
TCMBANKIN037904 |
Kadsulignan C |
kadsulignan c |
C31H30O11 |
578.56 |
CC1C(C2=CC3=C(C4=C2C5(CO4)C(=CC(=C(C5=O)OC)OC)C(C1(C)O)OC(=O)C)OCO3)OC(=O)C6=CC=CC=C6 |
TCMBANKIN038204 |
ferulic acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
C10H10O4 |
194.18 |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
TCMBANKIN039203 |
Neokadsuranin |
|
|
414.45 |
|
TCMBANKIN039983 |
Schisanlactone A |
schisanlactone a |
|
464.64 |
|
TCMBANKIN039994 |
kadsulignan A |
kadsulignan a |
C23H28O7 |
416.46 |
CC1CC2=CC(=O)C(=C(C23C4=C(C(=C(C=C4C(C1C)O3)OC)OC)OC)OC)OC |
TCMBANKIN041149 |
Schisanlactone B |
schisanlactone b |
|
466.7 g/mol |
|
TCMBANKIN041160 |
Schisantherin J |
schisantherin j |
|
636.69 |
|
TCMBANKIN041192 |
Kadsulignan G |
kadsulignan g |
C32H36O11 |
596.62 |
CC=C(C)C(=O)OC1C(C(C(C2=CC(=O)C(=C(C23COC4=C3C1=CC5=C4OCO5)OC)OC)OC(=O)C(=CC)C)(C)O)C |
TCMBANKIN041345 |
Interiotherin B |
interiotherin b |
C27H30O9 |
498.52 |
CC=C(C)C(=O)OC1C2=CC3=C(C(=C2C4=C(C5=C(C=C4CC(C1(C)O)C)OCO5)OC)OC)OCO3 |
TCMBANKIN041554 |
Schisantherin L |
schisantherin l |
|
498.52 |
|
TCMBANKIN041901 |
spinosin |
(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL (1S,4R,5R,9R,10S,13R)-13-{[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-5,9-DIMETHYL-14-METHYLIDENETETRACYCLO[11.2.1.0(1),(1)?.0?,?]HEXADECANE-5-CARBOXYLATE; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone; 6-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; ZINC250859376; BG01794006; MolPort-006-131-346; SCHEMBL15521912; AKOS015840141; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone; 2''-O-beta-D-Glucopyranosylswertisin; 4H-1-Benzopyran-4-one, 6-(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; 72063-39-9; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; Spinosin; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
C28H32O15 |
609 |
[C@@]1([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]2([H])c3c(OC([H])([H])[H])c([H])c(OC(c4c([H])c([H])c(O[H])c([H])c4[H])=C([H])C5=O)c5c3O[H])[C@]([H])(O[H])[C@@]([
H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O1 |
TCMBANKIN041920 |
Kadsulactone |
|
|
452.67 |
|
TCMBANKIN043087 |
Heteroclitin F |
heteroclitin f |
|
514.52 |
|
TCMBANKIN043886 |
Schisantherin M |
schisantherin m |
|
580.62 |
|
TCMBANKIN044232 |
schizandronic acid |
schizandronicacid |
C30H46O3 |
454.68 |
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C |
TCMBANKIN044430 |
heteroclitin A |
heteroclitin a |
C28H36O8 |
500.58 |
CCC(C)C(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)C)C |
TCMBANKIN045015 |
Heteroclitin C |
heteroclitin c |
|
498.56 |
|
TCMBANKIN045772 |
Heteroclitin B |
heteroclitin b |
|
498.56 |
|
TCMBANKIN046221 |
Taiwanschirin D |
|
|
530.6 g/mol |
|
TCMBANKIN047148 |
Kadsulignan B |
kadsulignan b |
|
474.5 |
|
TCMBANKIN047571 |
Interiotherin A |
interiotherin a |
|
504.53 |
|
TCMBANKIN047652 |
Schisanlactone F |
schisanlactone f |
|
468.7 g/mol |
|
TCMBANKIN048038 |
heteroclitin E |
heteroclitin e |
C27H30O9 |
498.52 |
CC=C(C)C(=O)OC1C(C(C(C2=CC(=C(C(=O)C23COC4=C3C1=CC5=C4OCO5)OC)OC)O)C)C |
TCMBANKIN048221 |
Kadsutherin |
|
|
468.54 |
|
TCMBANKIN048552 |
Heteroclitin G |
heteroclitin g |
|
400.42 |
|
TCMBANKIN048628 |
Kadsulignan E |
kadsulignan e |
|
578.56 |
|
TCMBANKIN049230 |
Kadsulignan D |
kadsulignan d |
C32H36O11 |
596.62 |
CC=C(C)C(=O)OC1C(C(C(C2=CC(=C(C(=O)C23COC4=C3C1=CC5=C4OCO5)OC)OC)OC(=O)C(=CC)C)(C)O)C |
TCMBANKIN050021 |
Kadsulignan F |
kadsulignan f |
C29H32O11 |
556.56 |
CC=C(C)C(=O)OC1C2=CC(=O)C(=C(C23COC4=C3C(=CC5=C4OCO5)C(C(C1(C)O)C)OC(=O)C)OC)OC |
TCMBANKIN058701 |
alphitotic acid |
Alphitolic acid; alphitolic acid; 2α,3β-dihydroxyl-lup-20(29)-en-28(19)-lactone; 2α,3α-dihydroxylup-20(29)-en-28-oicacid; alphitolicacid; NCGC00169506-02_C30H48O4_(2alpha,3beta,5xi,9xi,13xi,18xi)-2,3-Dihydroxylup-20(29)-en-28-oic acid |
C30H48O4 |
472.7 |
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O |
TCMBANKIN058706 |
betulin |
AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol |
C30H50O2 |
442.7g/mol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
TCMBANKIN059329 |
(+)-Anwulignan |
SMR000445701; MLS000728494; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol;macelignan |
C20H24O4 |
328.4 g/mol |
CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC |
TCMBANKIN059605 |
2α-hydroxyoleanolic acid;crategolicacid;2beta-hydroxyoleanolic acid;bredemolic acid;2a- hydroxy oleanolic acid;2α,3α-dihydroxyolean-12-en-28-oic acid;masilinic acid;(2β,3β)-maslinicacid;3-epimaslinic acid ;2α,3β-dihydroxyolean-12-en-28-oicacid;augustic acid ;Maslinic acid |
|
C30H48O4 |
472.7 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C |
TCMBANKIN059996 |
Kadsulactone A |
|
C30H42O5 |
482.65 |
CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC45C3CC(C6C4(C5)C=CC(=O)OC6(C)C)O)C)C |
TCMBANKIN059997 |
schisanlactone E |
|
C30H44O4 |
468.67 |
CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC45C3CCC(C4(C5)CCC(=O)O)C(=C)C)C)C |
TCMBANKIN061291 |
creatine |
|
C4H9N3O2 |
131.13 g/mol |
CN(CC(=O)O)C(=N)N |