CHEBI:145159 - Lobatoside J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lobatoside J
ChEBI ID CHEBI:145159
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C70H110O36
Net Charge 0
Average Mass 1527.614
Monoisotopic Mass 1526.67768
InChI InChI=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
InChIKey FGRRBJSRJCVDKZ-CCFHDZHESA-N
SMILES O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O[C@@H]8OC[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)[C@H]7O)C)C)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C=O)[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)C(O)=O
Metabolite of Species Details
Momordica charantia (NCBI:txid3673) Found in seed (BTO:0001226). See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Lobatoside J (CHEBI:145159) is a pentacyclic triterpenoid (CHEBI:25872)
Lobatoside J (CHEBI:145159) is a triterpenoid saponin (CHEBI:61778)
Last Modified
30 January 2020