TCMBANKIN003478 |
Mukurozioside II |
mukurozioside ii |
|
1135.36 |
|
TCMBANKIN009187 |
bruceolide |
HMS2227D12; CHEMBL1564136; NCGC00247554-01; SMR000445627; MLS000728513 |
C21H26O10 |
438.43 |
CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)O |
TCMBANKIN010473 |
quassinoides |
|
|
|
|
TCMBANKIN010774 |
brutoxin |
|
|
|
|
TCMBANKIN014850 |
Mukurozioside I |
mukurozioside i |
|
987.18 |
|
TCMBANKIN017221 |
linoleic acid |
(9E,12E)-octadeca-9,12-dienoate; AC1NYW3V; sodium (9E,12E)-octadeca-9,12-dienoate; BDBM22336; 9,12-octadecadienoate; linoleicacid |
C18H31O2- |
279.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)[O-] |
TCMBANKIN019593 |
javanicin |
1,4-Naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-; 3-Acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-1,4-naphthoquinone; Javanicin; AC1L1ULH; YNR51WFW2R; AC1Q5CGN; 5,8-Dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione; 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-; LS-95612; BRN 2296055; CHEMBL1224810; AK555254; CTK1D6158; 7-acetonyl-5,8-dihydroxy-2-methoxy-6-methyl-naphthalene-1,4-dione; Javanicin (Fusarium); 5,8-Dihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthalenedione; ACM476459; 4-08-00-03646 (Beilstein Handbook Reference); SCHEMBL3147213; 476-45-9; JAVANICIN; UNII-YNR51WFW2R; HSDB 3501; AKOS030530799 |
C15H14O6 |
290.27 g/mol |
CC1=C(C(=C2C(=C1O)C(=O)C=C(C2=O)OC)O)CC(=O)C |
TCMBANKIN021529 |
mukurozisaponin G |
mukurozisaponin g; Mukurozi-saponin G |
C50H78O18 |
967.14 |
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)OC(=O)C)OC(=O)C)O)O |
TCMBANKIN021672 |
apoatropine |
1.alpha.H, atropate (ester), hydrobromide; Apoatropine, hydrobromide; 6020-16-2; DTXSID70635222; NSC-41796; 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate--hydrogen bromide (1/1); Benzeneacetic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide, endo-; NSC41796; Atropamine |
C17H21NO2 |
271.35 |
CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3 |
TCMBANKIN025837 |
Cusparine |
cusparine; 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-quinoline; 529-92-0; 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyquinoline; C10655 |
C19H17NO3 |
307.34 |
COC1=CC(=NC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4 |
TCMBANKIN027040 |
anisodamine |
BC209832; AKOS015962158; Anisodamine |
C17H23NO4 |
305.37 |
CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 |
TCMBANKIN027544 |
yaxanzioolide d |
|
|
|
|
TCMBANKIN028261 |
mukurozisaponin X |
mukurozisaponin x; Mukurozi-saponin X |
C53H86O22 |
1075.24 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C)O)O)O)O)O |
TCMBANKIN029614 |
4-ethoxymethylphenyl-4'-hydroxybenzylether |
|
C16H18O3 |
|
CCOCC1=CC=C(C=C1)OCC2=CC=C(C=C2)O |
TCMBANKIN031966 |
bruceine g |
bruceine G |
C20H26O8 |
394.4 g/mol |
CC1=CC(=O)CC2(C1C(C3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C)O)O)O)C |
TCMBANKIN032113 |
amarolides |
|
|
|
|
TCMBANKIN035815 |
simaroubolides |
|
|
|
|
TCMBANKIN036811 |
brusatol |
ZZZYHIMVKOHVIH-MWFXHRFLSA-N; ZINC100062210; Brusatol; ST2406734; CHEMBL450464 |
C26H32O11 |
521 |
C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C(=O)O
4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[H] |
TCMBANKIN036917 |
apigenin |
520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
TCMBANKIN037092 |
bruceine D |
C08752; 21499-66-1; Bruceine D |
C20H26O9 |
410 |
C1(=O)[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@@](OC3([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])[C@@]([H])(O[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])
([H])[H])=C1[H] |
TCMBANKIN038125 |
Mukurozioside Iib |
|
|
1147.2 g/mol |
|
TCMBANKIN038318 |
bruceene |
|
C20H26O8 |
394.4 g/mol |
CC12C(CC3C45C1C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C(=C)C=CC2O |
TCMBANKIN039698 |
Mukurozioside Ib |
|
|
1001.1 g/mol |
|
TCMBANKIN039978 |
bruceine c |
BRUCEIN C; 2H-3,1-bc]pyran-3.alpha.(1H)-carboxylic acid, 3a,4,5,6a.beta.,7,7a.alpha.,10,11,11a,11b.alpha.-decahydro-1.beta.,2.alpha.,4.beta.,9-tetrahydroxy-8,11a.beta.-dimethyl-5,10-dioxo-, methyl ester, 4-(4-hydroxy-3,4-dimethyl-2-pentenoate); bruceine C; 25514-30-1; NSC-305730; Picras-3-en-21-oic acid,20-epoxy-3,11,12-trihydroxy-15-[(4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-; Bruceine C; DTXSID80713222; PUBCHEM_54601803; NSC305730 |
C28H36O12 |
564.6 g/mol |
CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)O |
TCMBANKIN039982 |
bruceine E |
bruceine E |
C20H28O9 |
412 |
[C@]1([H])(O[H])[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@](C([H])([H])[H])(OC3([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])[C@@]([H])(O[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H]
)C(C([H])([H])[H])=C1[H] |
TCMBANKIN040094 |
dehydrobruceine B |
|
C23H26O11 |
478 |
C1(O[H])=C([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(C([H])([H])[H])=O)C(=O)O4)[C@@]4([H])C5([H])[H])C5=C(
C([H])([H])[H])C1=O |
TCMBANKIN040173 |
Mukurozisaponin Y1 |
Mukurozi-saponin Y1; mukurozisaponin y1 |
|
1207.35 |
|
TCMBANKIN041682 |
bruceine f |
bruceine F |
C20H28O10 |
428.41 |
CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O)O |
TCMBANKIN042744 |
bruceine I |
bruceine I |
C22H28O10 |
452 |
C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@@](OC3([H])[H])(C(OC([H])([H])C([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])C([H])([H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C
(C([H])([H])[H])=C1O[H] |
TCMBANKIN042830 |
Mukurozioside Ia |
mukurozioside ia; Mukurozioside Ⅰa |
|
1003.09 |
|
TCMBANKIN044379 |
bruceantin |
NSC-165, 563; 15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester; yadanzioside P_qt |
C28H36O11 |
549 |
C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H]
)C([H])([H])[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[H] |
TCMBANKIN047663 |
bruceantinol |
53729-52-5; C08750; Bruceantinol; CHEMBL450145 |
C30H38O13 |
607 |
C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C(OC(C([H])([H])[H])=
O)(C([H])([H])[H])C([H])([H])[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[H] |
TCMBANKIN048171 |
bruceaketolic acid |
|
C22H28O12 |
484.45 |
|
TCMBANKIN049649 |
bruceoside E |
NSC-673353; CHEMBL450651 |
C31H42O16 |
671 |
C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@](C(O[H])=O)(OC4([H])[H])[C@@]([H])(O[H])[C@]3([H])O[H])
[C@@]([H])(OC(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])[C@]([H])(C([H])([H])[H])C1=O |
TCMBANKIN050230 |
bruceine B |
Bruceine B; C08751; 25514-29-8; NSC 132793; Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- (9CI) |
C23H28O11 |
480 |
C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(C([H])([H])[H])=O)C(=O)O4)[C@@]4([H])C5([H])[H])[C@
]5([H])C(C([H])([H])[H])=C1O[H] |
TCMBANKIN058221 |
apigenin |
520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
TCMBANKIN058803 |
Mulberrin |
ACon0_000342;kuwanon c; BDBM50242015; ACon1_001122; 2-(2,4-Dihydroxy-phenyl)-5,7-dihydroxy-8-((Z)-3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyl)-1-benzopyran-4-one; ZINC14727558; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-((Z)-3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyl)-1-benzopyran-4-one; Norartocarpin; AKOS032948822; BRD-K55131635-001-01-3; KUWANON-C; 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-; 62949-79-5; MEGxp0_001037; AC1NULGM; LMPK12110895; Kuwanonc; DTXSID20212148; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one; Kuwanon C, 4; Kuwanon C; MCULE-4706134068; Cudraflavone C; 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; AIDS-098108; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)-4-chromenone; mulberrin; SCHEMBL3680736; 4CN-2417; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromone; MolPort-001-741-195; 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)chromen-4-one; 19275-47-9; AIDS098108; CHEMBL518543 |
C25H26O6 |
422.47 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C |
TCMBANKIN059694 |
bruceantarin |
|
C28H30O11 |
542.5 g/mol |
CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)O |
TCMBANKIN059695 |
bruceine a |
|
C26H34O11 |
522.5 g/mol |
CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O |
TCMBANKIN059867 |
bruceine h |
|
C20H26O10 |
426.4 g/mol |
CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O |
TCMBANKIN060200 |
Mukurozisaponin E |
|
|
925.24 |
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)OC(=O)C)O)O)O |
TCMBANKIN060202 |
mukurozisaponin Y2 |
|
C58H94O26 |
1207.35 |
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)O)OC1C(C(C(CO1)O)O)O)O |
TCMBANKIN060221 |
mukurozioside iia |
|
C51H88O28 |
1149.2 g/mol |
CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)C)O)O)O)OCC=C(C)CCC=C(C)CCCC(C)COC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)C)O)O)O)OC6C(C(C(C(O6)C)O)O)O)CO)O)O)O)O |
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
TCMBANKIN061302 |
Atropin;atropine |
|
C17H23NO3 |
289.4 g/mol |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
TCMBANKIN061372 |
1,3-bis[(2R)-1-methylpyrrolidin-2-yl]acetone |
CHEBI:27920; 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one; 1,3-bis[(2R)-1-methyl-2-pyrrolidinyl]propan-2-one; 1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one; 1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]acetone; Cuscohygrine |
C13H24N2O |
224.34 |
CN1CCCC1CC(=O)CC2CCCN2C |
TCMBANKIN061375 |
Abrine |
NCGC00142581-01; N-methyl-L-tryptophan; 69555_FLUKA; (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid; N-Metil-L-triptofano; A829179; L-2-Methyltryptophan; 3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propanoic acid; L-Abrine; N(alpha)-methyl-L-tryptophan; EINECS 208-388-5; SBB012419; 434248_ALDRICH; CHEBI:15334; abrine; Nalpha-Methyl-L-tryptophan; (2S)-3-(1H-indol-3-yl)-2-methylaminopropanoic acid; N-Methyl-L-tryptophane; C02983; 526-31-8; 3-(1H-indol-3-yl)-2-(methylammonio)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propionic acid; abrin |
C12H14N2O2 |
218.25 |
CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
TCMBANKIN061528 |
scopoletin |
NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol |
C10H8O4 |
192.17 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |