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CHEBI:219496 - Formicamycin K

ChEBI IDCHEBI:219496
ChEBI NameFormicamycin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H27BrCl2O8
Net Charge0
Average Mass666.348
Monoisotopic Mass664.02664
SMILESCOc1cc(C)c(-c2cc(OC)c(Cl)c3c2C(=O)[C@@]2(O)C(=O)c4c(O)c(Cl)c(O)c(Br)c4C(C)(C)[C@H]2C3)c(OC)c1
InChIInChI=1S/C30H27BrCl2O8/c1-11-7-12(39-4)8-15(40-5)18(11)13-9-16(41-6)23(32)14-10-17-29(2,3)21-20(25(34)24(33)26(35)22(21)31)28(37)30(17,38)27(36)19(13)14/h7-9,17,34-35,38H,10H2,1-6H3/t17-,30-/m1/s1
InChIKeyVBPSRGCJSHVRCC-BJLXPSRBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces formicae (ncbitaxon:1616117) - PubMed (28507698)
ChEBI Ontology
Outgoing Relation(s)
Formicamycin K (CHEBI:219496) is a tetralins (CHEBI:36786)
IUPAC Name 
(5aR,11aR)-1-bromo-3,10-dichloro-7-(2,4-dimethoxy-6-methylphenyl)-2,4,5a-trihydroxy-9-methoxy-12,12-dimethyl-11,11a-dihydrotetracene-5,6-dione
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