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CHEBI:66196 - Tasumatrol I(rel)

ChEBI IDCHEBI:66196
ChEBI NameTasumatrol I(rel)
Stars
DefinitionA natural product found in Taxus sumatrana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILES[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]34CCC(C)=C3[C@@](O)(C(=O)OC4(C)C)[C@]1(C)[C@@H](O)C[C@H](O)[C@@]2(O)COC(C)=O
InChIInChI=1S/C29H36O10/c1-15-11-12-27-20(15)29(36,24(34)39-25(27,3)4)26(5)18(31)13-19(32)28(35,14-37-16(2)30)21(26)22(27)38-23(33)17-9-7-6-8-10-17/h6-10,18-19,21-22,31-32,35-36H,11-14H2,1-5H3/t18-,19-,21-,22-,26+,27-,28-,29+/m0/s1
InChIKeyIUKATXUBIOVCFH-YQAZJIHBSA-N
Species of MetaboliteComponentSourceComments
Taxus sumatrana (ncbitaxon:450883)
leaf (BTO:0000713) DOI (10.1016/j.tet.2004.10.110)
twig (BTO:0001411) DOI (10.1016/j.tet.2004.10.110)
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)
Tasumatrol I(rel) (CHEBI:66196) has role metabolite (CHEBI:25212)
Tasumatrol I(rel) (CHEBI:66196) is a benzoate ester (CHEBI:36054)