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CHEBI:68371 - ruageanin B

ChEBI IDCHEBI:68371
ChEBI Nameruageanin B
Stars
DefinitionA natural product found in Trichilia connaroides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H40O10
Net Charge0
Average Mass584.662
Monoisotopic Mass584.26215
SMILES[H][C@@]12CC(=O)O[C@@H](c3ccoc3)[C@]1(C)CC[C@@]1([H])[C@@]23O[C@]3([H])[C@]2(O)C(=O)[C@@]1(C)[C@@H](CC(=O)OC)C(C)(C)[C@@H]2OC(=O)/C(C)=C/C
InChIInChI=1S/C32H40O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8,10,12,15,18-20,23,26-27,37H,9,11,13-14H2,1-7H3/b16-8+/t18-,19+,20-,23+,26+,27-,29-,30-,31+,32-/m1/s1
InChIKeyRHNVFPUACKXTEQ-DEBVYSQHSA-N
Species of MetaboliteComponentSourceComments
Trichilia connaroides (IPNI:579388-1) leaf (BTO:0000713) PubMed (21268637) Methanolic extract of air-dried, powdered leaves
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)
ruageanin B (CHEBI:68371) has role metabolite (CHEBI:25212)
ruageanin B (CHEBI:68371) is a limonoid (CHEBI:39434)
IUPAC Name 
(4R,4aR,6aR,7S,8S,10S,11S,11aR,12aS,12bR)-4-(furan-3-yl)-11-hydroxy-8-(2-methoxy-2-oxoethyl)-4a,7,9,9-tetramethyl-2,13-dioxododecahydro-2H,4H-7,11-methanooxireno[1,8]cycloocta[1,2-f]isochromen-10-yl (2E)-2-methylbut-2-enoate
Citations