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CHEBI:202818 - Aranciamycin I

ChEBI IDCHEBI:202818
ChEBI NameAranciamycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O10
Net Charge0
Average Mass486.473
Monoisotopic Mass486.15260
SMILESC[C@@H]1O[C@@H](O[C@H]2C[C@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H26O10/c1-9-18(27)22(31)23(32)24(34-9)35-14-8-25(2,33)7-10-6-12-17(20(29)15(10)14)21(30)16-11(19(12)28)4-3-5-13(16)26/h3-6,9,14,18,22-24,26-27,29,31-33H,7-8H2,1-2H3/t9-,14-,18-,22+,23+,24-,25+/m0/s1
InChIKeyDDBVKKCFOGHUJY-KAEPNFDUSA-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 I (CHEBI:202818) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R)-4,6,9-trihydroxy-9-methyl-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
8203940ChemSpider