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CHEBI:224596 - Cervinomycin B3

ChEBI IDCHEBI:224596
ChEBI NameCervinomycin B3
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FormulaC29H23NO9
Net Charge0
Average Mass529.501
Monoisotopic Mass529.13728
SMILESCOc1cc2oc3c(O)c4ccc5cc6c(c(O)c5c4c(O)c3c(=O)c2cc1OC)C(=O)N1CCO[C@]1(C)C6
InChIInChI=1S/C29H23NO9/c1-29-11-13-8-12-4-5-14-21(19(12)25(33)20(13)28(35)30(29)6-7-38-29)26(34)22-23(31)15-9-17(36-2)18(37-3)10-16(15)39-27(22)24(14)32/h4-5,8-10,32-34H,6-7,11H2,1-3H3/t29-/m1/s1
InChIKeyHKGLETKFBVSBOX-GDLZYMKVSA-N
ChEBI Ontology
Outgoing Relation(s)
Cervinomycin B3 (CHEBI:224596) is a xanthones (CHEBI:51149)
IUPAC Name 
(10R)-3,18,29-trihydroxy-23,24-dimethoxy-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),13,15,18,21,23,25,28-decaene-5,27-dione
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59701197ChemSpider