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CHEBI:203614 - Simaomicin

ChEBI IDCHEBI:203614
ChEBI NameSimaomicin
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FormulaC28H25NO10
Net Charge0
Average Mass535.505
Monoisotopic Mass535.14785
SMILESCOc1c2c(c(O)c3c(=O)c4c(oc13)[C@@H](O)CC[C@@H]4O)-c1c3c(c4cc(C)n(C)c(=O)c4c1O)OCO[C@H]3C2
InChIInChI=1S/C28H25NO10/c1-9-6-10-16(28(35)29(9)2)22(33)19-15-11(7-14-18(19)24(10)38-8-37-14)25(36-3)27-20(21(15)32)23(34)17-12(30)4-5-13(31)26(17)39-27/h6,12-14,30-33H,4-5,7-8H2,1-3H3/t12-,13-,14-/m0/s1
InChIKeyDQPBSXMRMTWOAQ-IHRRRGAJSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (2211367)
ChEBI Ontology
Outgoing Relation(s)
Simaomicin (CHEBI:203614) is a xanthones (CHEBI:51149)
IUPAC Name 
(7S,10S,17S)-3,7,10,28-tetrahydroxy-14-methoxy-24,25-dimethyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.022,27]nonacosa-1(28),2(15),3,6(11),13,21(29),22(27),23-octaene-5,26-dione
Manual XrefsDatabases
115284763ChemSpider