EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227529 - 3'-O-demethyl mutactimycin

ChEBI IDCHEBI:227529
ChEBI Name3'-O-demethyl mutactimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O11
Net Charge0
Average Mass530.526
Monoisotopic Mass530.17881
SMILESCOc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](C)(O)C[C@@H]3O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O11/c1-9-5-6-11-15(25(9)36-4)22(32)17-16(19(11)29)20(30)12-7-27(3,35)8-13(14(12)21(17)31)38-26-24(34)23(33)18(28)10(2)37-26/h5-6,10,13,18,23-24,26,28,30-31,33-35H,7-8H2,1-4H3/t10-,13-,18-,23+,24+,26-,27+/m0/s1
InChIKeyMXNZEKQKARODKS-RHSAFIOESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9766460)
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)
3'-O-demethyl mutactimycin (CHEBI:227529) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R)-6,9,11-trihydroxy-4-methoxy-3,9-dimethyl-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
8205510ChemSpider