CHEBI:66197 - Tasumatrol J(rel)

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ChEBI Name Tasumatrol J(rel)
ChEBI ID CHEBI:66197
Definition A natural product found in Taxus sumatrana.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H34O9
Net Charge 0
Average Mass 526.57490
Monoisotopic Mass 526.22028
InChI InChI=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
InChIKey SVGLRYYOFWEEMV-KKRTVMRJSA-N
SMILES [H][C@@]12C[C@H](O)[C@]3(C)[C@]([H])([C@H](OC(=O)c4ccccc4)[C@]45CCC(C)=C4[C@@]3(O)C(=O)OC5(C)C)[C@@]1(CO2)OC(C)=O
Metabolite of Species Details
Taxus sumatrana (NCBI:txid450883) Found in leaf (BTO:0000713). See: DOI
Taxus sumatrana (NCBI:txid450883) Found in twig (BTO:0001411). See: DOI
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.
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ChEBI Ontology
Outgoing Tasumatrol J(rel) (CHEBI:66197) has role metabolite (CHEBI:25212)
Tasumatrol J(rel) (CHEBI:66197) is a benzoate ester (CHEBI:36054)
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol(CHEBI:38474); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);