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CHEBI:224815 - 4181-B

ChEBI IDCHEBI:224815
ChEBI Name4181-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H19NO9
Net Charge0
Average Mass513.458
Monoisotopic Mass513.10598
SMILESCOc1cc2oc3c(c(=O)c2cc1O)C(=O)c1c(ccc2cc4c(cc12)C(=O)N1CCO[C@@]1(OC)C4)C3=O
InChIInChI=1S/C28H19NO9/c1-35-20-10-19-17(9-18(20)30)23(31)22-25(33)21-14(24(32)26(22)38-19)4-3-12-7-13-11-28(36-2)29(5-6-37-28)27(34)16(13)8-15(12)21/h3-4,7-10,30H,5-6,11H2,1-2H3/t28-/m0/s1
InChIKeyJQHVKHVBFDXYKS-NDEPHWFRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3130363)
ChEBI Ontology
Outgoing Relation(s)
4181-B (CHEBI:224815) is a xanthones (CHEBI:51149)
IUPAC Name 
(10S)-24-hydroxy-10,23-dimethoxy-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
78438748ChemSpider