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CHEBI:213026 - Aranciamycin J

ChEBI IDCHEBI:213026
ChEBI NameAranciamycin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O11
Net Charge0
Average Mass514.483
Monoisotopic Mass514.14751
SMILESCO[C@H]1[C@H](O[C@H]2C[C@](C)(O)C(=O)c3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C26H26O11/c1-9-18(28)22(32)23(35-3)25(36-9)37-14-8-26(2,34)24(33)12-7-11-17(21(31)16(12)14)20(30)15-10(19(11)29)5-4-6-13(15)27/h4-7,9,14,18,22-23,25,27-28,31-32,34H,8H2,1-3H3/t9-,14-,18-,22+,23+,25-,26-/m0/s1
InChIKeyQKPNNIXAMOQQDF-OESHWEEYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25789410)
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)
Aranciamycin J (CHEBI:213026) is a anthracycline (CHEBI:48120)
IUPAC Name 
(2S,4S)-4-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Manual XrefsDatabases
34499562ChemSpider