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CHEBI:213360 - Aranciamycin

ChEBI IDCHEBI:213360
ChEBI NameAranciamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O12
Net Charge0
Average Mass544.509
Monoisotopic Mass544.15808
SMILESCO[C@H]1[C@H](O[C@@H]2c3c(cc4c(c3O)C(=O)c3c(O)cccc3C4=O)C(=O)[C@@](C)(O)[C@H]2OC)O[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C27H28O12/c1-9-17(29)21(33)23(36-3)26(38-9)39-22-16-12(24(34)27(2,35)25(22)37-4)8-11-15(20(16)32)19(31)14-10(18(11)30)6-5-7-13(14)28/h5-9,17,21-23,25-26,28-29,32-33,35H,1-4H3/t9-,17-,21+,22+,23+,25-,26-,27+/m0/s1
InChIKeyPGCZNTNNZCKKFG-LJUYJRHKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces echinatus (ncbitaxon:67293) - DOI (10.1107/s0108270192005766)
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 (CHEBI:213360) is a anthracycline (CHEBI:48120)
IUPAC Name 
(2S,3S,4R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Manual XrefsDatabases
21183319ChemSpider