EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224321 - 8-Demethoxy-steffimycin D

ChEBI IDCHEBI:224321
ChEBI Name8-Demethoxy-steffimycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O11
Net Charge0
Average Mass530.526
Monoisotopic Mass530.17881
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC1OC(C)C(O)C(O)C1OC)C[C@](C)(O)C3
InChIInChI=1S/C27H30O11/c1-10-20(29)24(33)25(36-4)26(37-10)38-16-9-27(2,34)8-11-5-13-19(22(31)17(11)16)23(32)18-14(21(13)30)6-12(35-3)7-15(18)28/h5-7,10,16,20,24-26,28-29,31,33-34H,8-9H2,1-4H3/t10?,16-,20?,24?,25?,26?,27+/m0/s1
InChIKeyOLPGXNLHFAJTBC-INHNCYERSA-N
Species of MetaboliteComponentSourceComments
Streptomyces steffisburgensis (ncbitaxon:68271) - PubMed (9268006)
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)
8-Demethoxy-steffimycin D (CHEBI:224321) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R)-7-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-4,6,9-trihydroxy-2-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
2035537ChemSpider