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CHEBI:70527 - meliastatin 3

Default Structure
ChEBI IDCHEBI:70527
ChEBI Namemeliastatin 3
Stars
DefinitionA natural product found in Melia toosendan.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H48O6
Net Charge0
Average Mass516.719
Monoisotopic Mass516.34509
SMILES[H][C@@]1([C@@H](C/C=C/C(C)(C)OO)C(=O)OC)[C@@H](O)C[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C
InChIInChI=1S/C31H48O6/c1-27(2,37-35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,29-,30+,31-/m1/s1
InChIKeyUXDZXRKJSZVQHR-GEMWEJHDSA-N
Species of MetaboliteComponentSourceComments
Melia toosendan (ncbitaxon:71608) fruit (BTO:0000486) PubMed (20961091) 95% ethanolic extract of dried fruits
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)
meliastatin 3 (CHEBI:70527) has role metabolite (CHEBI:25212)
meliastatin 3 (CHEBI:70527) is a triterpenoid (CHEBI:36615)
Synonym  Source
Methyl (13alpha,14beta,16beta,17alpha,23E)-25-hydroperoxy-16-hydroxy-3-oxolanosta-7,23-dien-21-oateChEBI
Citations