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CHEBI:172747 - 3'-demethyletoposide

ChEBI IDCHEBI:172747
ChEBI Name3'-demethyletoposide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O13
Net Charge0
Average Mass574.535
Monoisotopic Mass574.16864
SMILESCOc1cc([C@H]2c3cc4c(cc3[C@H](OC3OC5CO[C@@H](C)OC5[C@H](O)[C@H]3O)C3COC(=O)C32)OCO4)cc(O)c1O
InChIInChI=1S/C28H30O13/c1-10-35-8-19-26(39-10)23(31)24(32)28(40-19)41-25-13-6-17-16(37-9-38-17)5-12(13)20(21-14(25)7-36-27(21)33)11-3-15(29)22(30)18(4-11)34-2/h3-6,10,14,19-21,23-26,28-32H,7-9H2,1-2H3/t10-,14?,19?,20+,21?,23-,24-,25+,26?,28?/m1/s1
InChIKeyCYOJPLOJEPTJMM-RCQFJHMNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3'-demethyletoposide (CHEBI:172747) is a furonaphthodioxole (CHEBI:50307)
IUPAC Name 
(5R,9S)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-[[(2R,7R,8R)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5a,6,8a,9-tetrahydro-5H-[2]benzouro[6,5-][1,3]benzodioxol-8-one
Manual XrefsDatabases
HMDB0061028HMDB
35031831ChemSpider