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CHEBI:205080 - Saccharothrixmicine B

Default Structure
ChEBI IDCHEBI:205080
ChEBI NameSaccharothrixmicine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILESCOc1cccc2c1[C@H](OC1OC(C)C(O)C(O)C1O)[C@@]1(O)CCC3=C(C(=O)C[C@H](C)C3)[C@@H]1[C@H]2O
InChIInChI=1S/C26H34O9/c1-11-9-13-7-8-26(32)19(17(13)15(27)10-11)21(29)14-5-4-6-16(33-3)18(14)24(26)35-25-23(31)22(30)20(28)12(2)34-25/h4-6,11-12,19-25,28-32H,7-10H2,1-3H3/t11-,12?,19-,20?,21+,22?,23?,24+,25?,26-/m1/s1
InChIKeyOOUSXLYBBIXMEC-GXXKSSJKSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix espanaensis (ncbitaxon:103731) - PubMed (20433079)
ChEBI Ontology
Outgoing Relation(s)
Saccharothrixmicine B (CHEBI:205080) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,6aR,7S,12R,12aR)-6a,12-dihydroxy-8-methoxy-3-methyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,7,12,12a-octahydrobenzo[a]anthracen-1-one
Manual XrefsDatabases
27025369ChemSpider