EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218645 - 1-Hydroxy-D-788-11

ChEBI IDCHEBI:218645
ChEBI Name1-Hydroxy-D-788-11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO9
Net Charge0
Average Mass499.516
Monoisotopic Mass499.18423
SMILESCC[C@]1(O)Cc2cc3c(c(O)c2[C@@H](OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C26H29NO9/c1-3-26(34)8-11-6-12-19(25(33)21-15(29)5-4-14(28)20(21)23(12)31)24(32)18(11)16(9-26)36-17-7-13(27)22(30)10(2)35-17/h4-6,10,13,16-17,22,28-30,32,34H,3,7-9,27H2,1-2H3/t10?,13?,16-,17?,22?,26-/m0/s1
InChIKeyKGRCSDJARXQFNS-QOMIVSSASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1473988)
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)
1-Hydroxy-D-788-11 (CHEBI:218645) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443745ChemSpider