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CHEBI:197279 - Idarubicinol

ChEBI IDCHEBI:197279
ChEBI NameIdarubicinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO9
Net Charge0
Average Mass499.516
Monoisotopic Mass499.18423
SMILESC[C@@H]1O[C@@H](O[C@H]2C[C@](O)([C@H](C)O)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@@H]1O
InChIInChI=1S/C26H29NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10-11,15-17,21,28-29,32-34H,7-9,27H2,1-2H3/t10-,11-,15-,16-,17-,21+,26-/m0/s1
InChIKeyKMIBSUUWQWSRQV-BAYOIBAISA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Idarubicinol (CHEBI:197279) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[(1S)-1-hydroxyethyl]-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
19976693ChemSpider