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CHEBI:224591 - Cervinomycin B2

ChEBI IDCHEBI:224591
ChEBI NameCervinomycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H21NO9
Net Charge0
Average Mass515.474
Monoisotopic Mass515.12163
SMILESCOc1cc2oc3c(c(=O)c2cc1O)C(=O)C1=C(CCc2cc4c(c(O)c21)C(=O)N1CCO[C@]1(C)C4)C3=O
InChIInChI=1S/C28H21NO9/c1-28-10-12-7-11-3-4-13-20(18(11)24(33)19(12)27(35)29(28)5-6-37-28)25(34)21-22(31)14-8-15(30)17(36-2)9-16(14)38-26(21)23(13)32/h7-9,30,33H,3-6,10H2,1-2H3/t28-/m1/s1
InChIKeyVLGBAULWTGGZGW-MUUNZHRXSA-N
ChEBI Ontology
Outgoing Relation(s)
Cervinomycin B2 (CHEBI:224591) is a xanthones (CHEBI:51149)
IUPAC Name 
(10R)-3,24-dihydroxy-23-methoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,19(28),21,23,25-octaene-5,18,27,29-tetrone