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CHEBI:188507 - 5-Methoxypodophyllotoxin

ChEBI IDCHEBI:188507
ChEBI Name5-Methoxypodophyllotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O9
Net Charge0
Average Mass444.436
Monoisotopic Mass444.14203
SMILES[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3c(c(OC)c1[C@@H]2O)OCO3
InChIInChI=1S/C23H24O9/c1-26-13-5-10(6-14(27-2)20(13)28-3)16-11-7-15-21(32-9-31-15)22(29-4)18(11)19(24)12-8-30-23(25)17(12)16/h5-7,12,16-17,19,24H,8-9H2,1-4H3/t12-,16+,17-,19+/m0/s1
InChIKeyPDQAOYGENRRPQO-UXDKQJBESA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
5-Methoxypodophyllotoxin (CHEBI:188507) is a furonaphthodioxole (CHEBI:50307)
IUPAC Name 
(5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzouro[6,5-][1,3]benzodioxol-8-one
Manual XrefsDatabases
2299755ChemSpider
Registry NumbersSources
CAS:128443-52-7ChemIDplus