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CHEBI:217461 - Actinospirol B

ChEBI IDCHEBI:217461
ChEBI NameActinospirol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H9BrO7
Net Charge0
Average Mass405.156
Monoisotopic Mass403.95316
SMILESCc1cc(O)c2c(c1Br)[C@@]1(OC2=O)Oc2cccc(C(=O)O)c2C1=O
InChIInChI=1S/C17H9BrO7/c1-6-5-8(19)11-12(13(6)18)17(25-16(11)23)14(20)10-7(15(21)22)3-2-4-9(10)24-17/h2-5,19H,1H3,(H,21,22)/t17-/m0/s1
InChIKeyNPDRNVRLCFOBNU-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Actinomadura rubteroloni (ncbitaxon:1926885) - PubMed (32193935)
ChEBI Ontology
Outgoing Relation(s)
Actinospirol B (CHEBI:217461) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2S)-7'-bromo-4'-hydroxy-6'-methyl-3,3'-dioxospiro[1-benzouran-2,1'-2-benzouran]-4-carboxylic acid