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CHEBI:68210 - Gemmacolide H, (rel)-

ChEBI IDCHEBI:68210
ChEBI NameGemmacolide H, (rel)-
Stars
DefinitionA natural product found in Dichotella gemmacea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H35ClO12
Net Charge0
Average Mass599.029
Monoisotopic Mass598.18170
SMILES[H][C@@]12[C@H](OC(C)=O)[C@]3(O)[C@@H](C)C(=O)O[C@@]3([H])[C@@H](Cl)C(=C)/C=C/[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]21CO1
InChIInChI=1S/C28H35ClO12/c1-12-8-9-18(37-14(3)30)26(7)19(38-15(4)31)10-20(39-16(5)32)27(11-36-27)22(26)24(40-17(6)33)28(35)13(2)25(34)41-23(28)21(12)29/h8-9,13,18-24,35H,1,10-11H2,2-7H3/b9-8+/t13-,18-,19-,20+,21-,22+,23-,24-,26-,27+,28-/m0/s1
InChIKeySOPGXGVLWJRPKF-GBGQAHMFSA-N
Species of MetaboliteComponentSourceComments
Dichotella gemmacea (ncbitaxon:767270) - PubMed (21721519) Ethyl acetate soluble portion of combined extract of acetone and methanol of frozen specimen
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)
Gemmacolide H, (rel)- (CHEBI:68210) has role metabolite (CHEBI:25212)
Gemmacolide H, (rel)- (CHEBI:68210) is a γ-lactone (CHEBI:37581)
Citations