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CHEBI:221610 - Albofungin B

ChEBI IDCHEBI:221610
ChEBI NameAlbofungin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H25NO9
Net Charge0
Average Mass519.506
Monoisotopic Mass519.15293
SMILESCO[C@@H]1CC[C@H](O)c2c1oc1c3c4c(c(O)c1c2=O)-c1c(cc2cc(C)n(C)c(=O)c2c1O)C[C@H]4OCO3
InChIInChI=1S/C28H25NO9/c1-10-6-11-7-12-8-15-19-20(16(12)22(31)17(11)28(34)29(10)2)24(33)21-23(32)18-13(30)4-5-14(35-3)25(18)38-27(21)26(19)37-9-36-15/h6-7,13-15,30-31,33H,4-5,8-9H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyQCIKMZPBPCLRCR-RRFJBIMHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces chrestomyceticus (ncbitaxon:68185) - PubMed (33633715)
ChEBI Ontology
Outgoing Relation(s)
Albofungin B (CHEBI:221610) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(13R,21R,24S)-3,24,28-trihydroxy-21-methoxy-6,7-dimethyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione