CHEBI:188507 - 5-Methoxypodophyllotoxin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-Methoxypodophyllotoxin
ChEBI ID CHEBI:188507
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O9
Net Charge 0
Average Mass 444.436
Monoisotopic Mass 444.14203
InChI InChI=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
InChIKey PDQAOYGENRRPQO-UXDKQJBESA-N
SMILES O1C[C@]2([C@@]([C@@H](C=3C([C@@H]2O)=C(OC)C=4OCOC4C3)C5=CC(OC)=C(OC)C(OC)=C5)(C1=O)[H])[H]
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
2299755 ChemSpider
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Registry Number Type Source
128443-52-7 CAS Registry Number ChemIDplus