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CHEBI:66764 - Plectranthol B

ChEBI IDCHEBI:66764
ChEBI NamePlectranthol B
Stars
DefinitionA natural product found in Plectranthus nummularius.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H40O7
Net Charge0
Average Mass536.665
Monoisotopic Mass536.27740
SMILES[H][C@@]12CCc3cc(C(C)C)c(OC(=O)C=C(C)C)c(O)c3[C@@]1(C)CCC[C@]2(C)COC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C32H40O7/c1-18(2)14-26(35)39-29-22(19(3)4)15-20-9-11-25-31(5,12-7-13-32(25,6)27(20)28(29)36)17-38-30(37)21-8-10-23(33)24(34)16-21/h8,10,14-16,19,25,33-34,36H,7,9,11-13,17H2,1-6H3/t25-,31+,32-/m0/s1
InChIKeyQIRPXSKEFCGQDR-FXZLDBAYSA-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 B (CHEBI:66764) has role metabolite (CHEBI:25212)
Plectranthol B (CHEBI:66764) is a diterpenoid (CHEBI:23849)
Synonym  Source
12-O-(3-methyl-2-butenoyl)-19-O-(3,4-dihydroxybenzoyl)-11-hydroxyabieta-8,11,13-trieneChEBI
Citations