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CHEBI:66197 - Tasumatrol J(rel)

ChEBI IDCHEBI:66197
ChEBI NameTasumatrol J(rel)
Stars
DefinitionA natural product found in Taxus sumatrana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H34O9
Net Charge0
Average Mass526.582
Monoisotopic Mass526.22028
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@@]1([H])OC[C@@]21OC(C)=O
InChIInChI=1S/C29H34O9/c1-15-11-12-27-20(15)29(34,24(33)38-25(27,3)4)26(5)18(31)13-19-28(14-35-19,37-16(2)30)21(26)22(27)36-23(32)17-9-7-6-8-10-17/h6-10,18-19,21-22,31,34H,11-14H2,1-5H3/t18-,19+,21-,22-,26+,27-,28-,29+/m0/s1
InChIKeySVGLRYYOFWEEMV-KKRTVMRJSA-N
Species of MetaboliteComponentSourceComments
Taxus sumatrana (ncbitaxon:450883)
twig (BTO:0001411) DOI (10.1016/j.tet.2004.10.110)
leaf (BTO:0000713) 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 J(rel) (CHEBI:66197) has role metabolite (CHEBI:25212)
Tasumatrol J(rel) (CHEBI:66197) is a benzoate ester (CHEBI:36054)