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CHEBI:66763 - Plectranthol A

ChEBI IDCHEBI:66763
ChEBI NamePlectranthol A
Stars
DefinitionA natural product found in Plectranthus nummularius.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H30O6
Net Charge0
Average Mass450.531
Monoisotopic Mass450.20424
SMILESCC(C)c1cc2c(c(O)c1O)C1=CCC[C@](C)(COC(=O)c3ccc(O)c(O)c3)[C@@]1(C)C=C2
InChIInChI=1S/C27H30O6/c1-15(2)18-12-16-9-11-27(4)19(22(16)24(31)23(18)30)6-5-10-26(27,3)14-33-25(32)17-7-8-20(28)21(29)13-17/h6-9,11-13,15,28-31H,5,10,14H2,1-4H3/t26-,27+/m1/s1
InChIKeyVIWAYXHMGDZRSR-SXOMAYOGSA-N
Species of MetaboliteComponentSourceComments
Plectranthus nummularius (IPNI:454595-1) leaf (BTO:0000713) PubMed (11558608) Fresh leaves
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)
Plectranthol A (CHEBI:66763) has role metabolite (CHEBI:25212)
Plectranthol A (CHEBI:66763) is a diterpenoid (CHEBI:23849)
Synonyms  Source
[(1S,10aS)-5,6-Dihydroxy-7-isopropyl-1,10a-dimethyl-1,2,3,10a-tetrahydro-1-phenanthrenyl]methyl 3,4-dihydroxybenzoateChEBI
19-O-(3,4-dihydroxybenzoyl)-11,12-dihydroxy-20(10->5)-abeo-abieta-1(10),6,8,11,13-tetraeneChEBI
Citations