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CHEBI:145154 - Lobatoside I

ChEBI IDCHEBI:145154
ChEBI NameLobatoside I
Stars
Last Modified30 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC65H102O32
Net Charge0
Average Mass1395.499
Monoisotopic Mass1394.63542
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]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/C65H102O32/c1-24-34(70)40(76)50(96-56-46(82)48(93-54-44(80)38(74)36(72)29(20-66)89-54)47(25(2)88-56)92-53-43(79)35(71)28(69)22-86-53)57(87-24)97-59(85)65-17-15-60(3,4)19-27(65)26-9-10-32-61(5)13-12-33(62(6,23-68)31(61)11-14-64(32,8)63(26,7)16-18-65)91-58-51(42(78)41(77)49(94-58)52(83)84)95-55-45(81)39(75)37(73)30(21-67)90-55/h9,23-25,27-51,53-58,66-67,69-82H,10-22H2,1-8H3,(H,83,84)/t24-,25+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50-,51-,53+,54+,55+,56+,57+,58-,61+,62+,63-,64-,65+/m1/s1
InChIKeyWDHAPEMXROWSMR-XUKFHQRHSA-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 I (CHEBI:145154) is a pentacyclic triterpenoid (CHEBI:25872)
Lobatoside I (CHEBI:145154) is a triterpenoid saponin (CHEBI:61778)