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CHEBI:223885 - Isarubrolone F

ChEBI IDCHEBI:223885
ChEBI NameIsarubrolone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30NO10
Net Charge+1
Average Mass528.534
Monoisotopic Mass528.18642
SMILESCC[C@H]1O[C@@](C)(O)C[n+]2c(C)cc3c(c21)C(=O)c1cc(=O)c2c(c(O)c1-3)O[C@@H]1O[C@H](C)[C@@H](OC)[C@@H](O)[C@]21O
InChIInChI=1S/C27H29NO10/c1-6-15-19-17-12(7-10(2)28(19)9-26(4,33)38-15)16-13(20(17)30)8-14(29)18-23(21(16)31)37-25-27(18,34)24(32)22(35-5)11(3)36-25/h7-8,11,15,22,24-25,32-34H,6,9H2,1-5H3/p+1/t11-,15-,22-,24-,25+,26-,27-/m1/s1
InChIKeyZUGQHQPKYXLART-UJBBIGQNSA-O
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31070914)
ChEBI Ontology
Outgoing Relation(s)
Isarubrolone F (CHEBI:223885) is a furopyran (CHEBI:74927)
IUPAC Name 
(5S,7R,8S,9R,10R,18R,20R)-18-ethyl-2,9,10,20-tetrahydroxy-8-methoxy-7,20,23-trimethyl-4,6,19-trioxa-22-azoniahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1,3(11),13,16(25),17(22),23-hexaene-12,15-dione