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CHEBI:214099 - 18-O-demethyl cervinomycin A2

ChEBI IDCHEBI:214099
ChEBI Name18-O-demethyl cervinomycin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H19NO9
Net Charge0
Average Mass513.458
Monoisotopic Mass513.10598
SMILESCOc1cc2oc3c(c(=O)c2cc1O)C(=O)c1c(ccc2cc4c(c(O)c12)C(=O)N1CCO[C@@]1(C)C4)C3=O
InChIInChI=1S/C28H19NO9/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/h3-4,7-9,30,33H,5-6,10H2,1-2H3/t28-/m0/s1
InChIKeyGWCSYVFHHXZWAC-NDEPHWFRSA-N
Species of MetaboliteComponentSourceComments
Pseudonocardia autotrophica (ncbitaxon:2074) - PubMed (8175487)
ChEBI Ontology
Outgoing Relation(s)
18-O-demethyl cervinomycin A2 (CHEBI:214099) is a xanthones (CHEBI:51149)
IUPAC Name 
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),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone
Manual XrefsDatabases
2343684ChemSpider