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CHEBI:68066 - Ramonanin B, (rel)-

ChEBI IDCHEBI:68066
ChEBI NameRamonanin B, (rel)-
Stars
DefinitionA natural product found in Guaiacum officinale and Guaiacum sanctum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H40O10
Net Charge0
Average Mass680.750
Monoisotopic Mass680.26215
SMILESC=C1[C@H](c2ccc(O)c(OC)c2)O[C@H](c2ccc(O)c(OC)c2)[C@@]12CCC1=C(C2)[C@@H](c2ccc(O)c(OC)c2)O[C@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C40H40O10/c1-21-36(22-6-10-28(41)32(16-22)45-2)50-39(25-9-13-31(44)35(19-25)48-5)40(21)15-14-26-27(20-40)38(24-8-12-30(43)34(18-24)47-4)49-37(26)23-7-11-29(42)33(17-23)46-3/h6-13,16-19,36-39,41-44H,1,14-15,20H2,2-5H3/t36-,37+,38-,39-,40-/m1/s1
InChIKeyGVLSMMAPMUCRRO-RZTCZVRSSA-N
Species of MetaboliteComponentSourceComments
Guaiacum sanctum (ncbitaxon:45189) heartwood (PO:0004512) PubMed (21391655)
Guaiacum officinale (ncbitaxon:374122) heartwood (PO:0004512) PubMed (21391655) CHCl3 extract of dried and powdered heart wood
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Ramonanin B, (rel)- (CHEBI:68066) has role metabolite (CHEBI:25212)
Ramonanin B, (rel)- (CHEBI:68066) is a diarylheptanoid (CHEBI:78802)
Synonym  Source
rel-2-methoxy-4-[(1R,2'S,3S,5'R,6R)-1,3,5'-tris(4-hydroxy-3-methoxyphenyl)-3'-methylidenespiro[3,4,5,7-tetrahydro-1H-2-benzofuran-6,4'-oxolane]-2'-yl]phenolChEBI
Citations