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CHEBI:69172 - trigoheterin D, (rel)-

ChEBI IDCHEBI:69172
ChEBI Nametrigoheterin D, (rel)-
Stars
DefinitionA natural product found in Trigonostemon heterophyllus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H44O11
Net Charge0
Average Mass616.704
Monoisotopic Mass616.28836
SMILES[H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](O)[C@](C)(O)[C@@H](O)[C@@]1([H])[C@@]3([H])OC4(C)O[C@@]21[C@H](C)[C@H](OC(=O)CCc1ccccc1)[C@]3(C(=C)C)O4
InChIInChI=1S/C33H44O11/c1-16(2)32-26(41-22(35)14-13-20-11-9-8-10-12-20)18(4)33-21-15-17(3)25(40-19(5)34)31(21,39)28(37)29(6,38)24(36)23(33)27(32)42-30(7,43-32)44-33/h8-12,17-18,21,23-28,36-39H,1,13-15H2,2-7H3/t17-,18+,21+,23-,24-,25-,26-,27+,28+,29+,30?,31+,32-,33-/m0/s1
InChIKeyQQXREVRDDYMTOR-BMFITTSNSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon heterophyllus (IPNI:358015-1) twig (BTO:0001411) PubMed (22122667) 95% EtOH extract of powdered and air-dried twigs
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)
trigoheterin D, (rel)- (CHEBI:69172) has role metabolite (CHEBI:25212)
trigoheterin D, (rel)- (CHEBI:69172) is a diterpenoid (CHEBI:23849)
Citations