CHEBI:70603 - 14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide
ChEBI ID CHEBI:70603
Definition A natural product found in Parasenecio deltophyllus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H22O6
Net Charge 0
Average Mass 370.39580
Monoisotopic Mass 370.14164
InChI InChI=1S/C21H22O6/c1-6-11(2)19(22)26-10-14-15-12(3)8-7-9-13(15)17(25-5)18-16(14)21(4,24)20(23)27-18/h6-9,24H,10H2,1-5H3/b11-6-/t21-/m1/s1
InChIKey PHJXJLUAXVXKCQ-JLXOPUERSA-N
SMILES COc1c2OC(=O)[C@](C)(O)c2c(COC(=O)C(\C)=C/C)c2c(C)cccc12
Metabolite of Species Details
Parasenecio deltophyllus (NCBI:txid186962) Found in aerial part (BTO:0001658). The air-dried aerial parts were powdered and extracted with petroleum ether-Et2O-MeOH See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide (CHEBI:70603) has role metabolite (CHEBI:25212)
14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide (CHEBI:70603) is a naphthofuran (CHEBI:39270)
Synonym Source
[(3R)-3-hydroxy-9-methoxy-3,5-dimethyl-2-oxobenzo[f][1]benzofuran-4-yl]methyl(Z)-2-methylbut-2-enoate ChEBI
Citation Waiting for Citations Type Source
20968296 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:carboxylic ester(CHEBI:33308); HFP:benzyl alcohol(CHEBI:17987); ISA:naphthalenes(CHEBI:25477); ISA:benzofurans(CHEBI:35259); ISA:benzyl ether(CHEBI:59859); ISA:methoxybenzene(CHEBI:51683); ISA:fatty acid ester(CHEBI:35748); ISA:toluenes(CHEBI:27024); ISA:aromatic ether(CHEBI:35618); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:lactone(CHEBI:25000); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);