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CHEBI:145159 - Lobatoside J

ChEBI IDCHEBI:145159
ChEBI NameLobatoside J
Stars
Last Modified30 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC70H110O36
Net Charge0
Average Mass1527.614
Monoisotopic Mass1526.67768
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C=O
InChIInChI=1S/C70H110O36/c1-25-36(76)42(82)54(105-61-49(89)52(102-59-46(86)40(80)38(78)31(20-71)97-59)50(26(2)96-61)100-58-48(88)51(30(75)23-94-58)101-57-45(85)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(44(84)43(83)53(103-63)56(90)91)104-60-47(87)41(81)39(79)32(21-72)98-60/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,26+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,52+,53+,54-,55-,57+,58+,59+,60+,61+,62+,63-,66+,67+,68-,69-,70+/m1/s1
InChIKeyFGRRBJSRJCVDKZ-CCFHDZHESA-N
Species of MetaboliteComponentSourceComments
Momordica charantia (ncbitaxon:3673) seed (BTO:0001226) MetaboLights (MTBLS701)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Lobatoside J (CHEBI:145159) is a pentacyclic triterpenoid (CHEBI:25872)
Lobatoside J (CHEBI:145159) is a triterpenoid saponin (CHEBI:61778)