CHEBI:1959 - 5'-Demethoxydeoxypodophyllotoxin

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ChEBI Name 5'-Demethoxydeoxypodophyllotoxin
ChEBI ID CHEBI:1959
Stars This entity has been manually annotated by a third party.
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Formula C21H20O6
Net Charge 0
Average Mass 368.381
Monoisotopic Mass 368.12599
InChI InChI=1S/C21H20O6/c1-23-15-4-3-11(6-16(15)24-2)19-14-8-18-17(26-10-27-18)7-12(14)5-13-9-25-21(22)20(13)19/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3/t13-,19+,20-/m0/s1
InChIKey MKWAWTRNIPHOLB-SVIJTADQSA-N
SMILES COc1ccc(cc1OC)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12
ChEBI Ontology
Outgoing 5'-Demethoxydeoxypodophyllotoxin (CHEBI:1959) is a lactone (CHEBI:25000)
5'-Demethoxydeoxypodophyllotoxin (CHEBI:1959) is a lignan (CHEBI:25036)
Synonym Source
5'-Demethoxydeoxypodophyllotoxin KEGG COMPOUND
Manual Xrefs Databases
C00002593 KNApSAcK
C10551 KEGG COMPOUND
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Registry Number Type Source
63700-40-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014