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gummiferaoside B
A triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > metabolite [CHEBI:25212] > secondary metabolite [CHEBI:26619] > gummiferaoside B [CHEBI:65987]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 gummiferaoside B [CHEBI:65987] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 gummiferaoside B [CHEBI:65987] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 alpha,beta-unsaturated carboxylic ester [CHEBI:51737] (68) 
 enoate ester [CHEBI:51702] (65) 
 gummiferaoside B [CHEBI:65987] (1)
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 saponin [CHEBI:26605] (94) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 terpene glycoside [CHEBI:61777] (68) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 alpha,beta-unsaturated carboxylic ester [CHEBI:51737] (68) 
 enoate ester [CHEBI:51702] (65) 
 gummiferaoside B [CHEBI:65987] (1)
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 saponin [CHEBI:26605] (94) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 terpene glycoside [CHEBI:61777] (68) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 triterpenoid [CHEBI:36615] (228) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 gummiferaoside B [CHEBI:65987] (1)
 terpene glycoside [CHEBI:61777] (68) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 triterpenoid [CHEBI:36615] (228) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 gummiferaoside B [CHEBI:65987] (1)
 terpene glycoside [CHEBI:61777] (68) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 alpha,beta-unsaturated carboxylic ester [CHEBI:51737] (68) 
 enoate ester [CHEBI:51702] (65) 
 gummiferaoside B [CHEBI:65987] (1)
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 saponin [CHEBI:26605] (94) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 terpene glycoside [CHEBI:61777] (68) 
 triterpenoid saponin [CHEBI:61778] (59) 
 gummiferaoside B [CHEBI:65987] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 alpha,beta-unsaturated carboxylic ester [CHEBI:51737] (68) 
 enoate ester [CHEBI:51702] (65) 
 gummiferaoside B [CHEBI:65987] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 gummiferaoside B [CHEBI:65987] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 alpha,beta-unsaturated carboxylic ester [CHEBI:51737] (68) 
 enoate ester [CHEBI:51702] (65) 
 gummiferaoside B [CHEBI:65987] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 gummiferaoside B [CHEBI:65987] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 gummiferaoside B [CHEBI:65987] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 gummiferaoside B [CHEBI:65987] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 alpha,beta-unsaturated carboxylic ester [CHEBI:51737] (68) 
 enoate ester [CHEBI:51702] (65) 
 gummiferaoside B [CHEBI:65987] (1)
ChEBI Compound Accession Identifier  [CHEBI:65987]
ChEBI Compound Description  A triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line.
ChEBI Compound Identification Number  65987
ChEBI InChI Value  InChI=1S/C102H162O48/c1-18-97(13,149-89-75(125)65(115)58(108)42(5)134-89)29-21-23-41(4)84(129)143-78-44(7)137-90(77(127)71(78)121)150-98(14,19-2)28-20-22-40(3)83(128)141-57-34-102(94(130)148-93-82(68(118)63(113)51(36-104)139-93)146-87-76(126)70(120)79(45(8)136-87)144-85-72(122)60(110)48(105)37-131-85)47(32-95(57,9)10)46-24-25-54-99(15)30-27-56(96(11,12)53(99)26-31-100(54,16)101(46,17)33-55(102)107)142-92-81(147-88-74(124)66(116)62(112)50(35-103)138-88)69(119)64(114)52(140-92)39-133-91-80(67(117)59(109)43(6)135-91)145-86-73(123)61(111)49(106)38-132-86/h18-19,22-24,42-45,47-82,85-93,103-127H,1-2,20-21,25-39H2,3-17H3/b40-22+,41-23+/t42-,43-,44-,45-,47+,48-,49+,50-,51-,52-,53+,54-,55-,56+,57+,58-,59+,60+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85+,86+,87-,88+,89+,90+,91-,92+,93+,97+,98-,99+,100-,101-,102-/m1/s1
ChEBI InChIKey Value  WWTIDCRMMJEMDR-WLGZQPPQSA-N
ChEBI Compound Name  gummiferaoside B
ChEBI SMILES Value  [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](C)O[C@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23C[C@H](OC(=O)C(\C)=C\CC[C@](C)(O[C@@H]4O[C@H](C)[C@@H](OC(=O)C(\C)=C\CC[C@@](C)(O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)C=C)[C@H](O)[C@H]4O)C=C)C(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@H]1O
ChEBI Substance ID  160710061
ChEBI URL  ChEBI:65987
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  WWTIDCRMMJEMDR_WLGZQPPQSA_N_000_000000
PubChem Compound ID  70697837