CHEBI:181284 - Podophyllotoxin, glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Podophyllotoxin, glucoside
ChEBI ID CHEBI:181284
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O13
Net Charge 0
Average Mass 576.551
Monoisotopic Mass 576.18429
InChI InChI=1S/C28H32O13/c1-34-17-4-11(5-18(35-2)26(17)36-3)20-12-6-15-16(39-10-38-15)7-13(12)25(14-9-37-27(33)21(14)20)41-28-24(32)23(31)22(30)19(8-29)40-28/h4-7,14,19-25,28-32H,8-10H2,1-3H3
InChIKey NXVJTGLCCSFGAT-UHFFFAOYSA-N
SMILES O(C1C2C(C(C=3C1=CC=4OCOC4C3)C5=CC(OC)=C(OC)C(OC)=C5)C(OC2)=O)C6OC(C(O)C(O)C6O)CO
ChEBI Ontology
Outgoing Podophyllotoxin, glucoside (CHEBI:181284) is a furonaphthodioxole (CHEBI:50307)
IUPAC Name
5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzouro[6,5-][1,3]benzodioxol-8-one
Manual Xref Database
259774 ChemSpider
View more database links