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CHEBI:219450 - Formicamycin C

ChEBI IDCHEBI:219450
ChEBI NameFormicamycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28Cl2O8
Net Charge0
Average Mass587.452
Monoisotopic Mass586.11612
SMILESCOc1cc(C)c(-c2cc(OC)c(Cl)c3c2C(=O)[C@@]2(O)C(=O)c4c(O)cc(O)c(Cl)c4C(C)(C)[C@H]2C3)c(OC)c1
InChIInChI=1S/C30H28Cl2O8/c1-12-7-13(38-4)8-18(39-5)21(12)14-9-19(40-6)25(31)15-10-20-29(2,3)24-23(16(33)11-17(34)26(24)32)28(36)30(20,37)27(35)22(14)15/h7-9,11,20,33-34,37H,10H2,1-6H3/t20-,30-/m1/s1
InChIKeyBDNWOBBVDVIJGL-PRAQEBQASA-N
Species of MetaboliteComponentSourceComments
Streptomyces formicae (ncbitaxon:1616117) - PubMed (28507698)
ChEBI Ontology
Outgoing Relation(s)
Formicamycin C (CHEBI:219450) is a tetralins (CHEBI:36786)
IUPAC Name 
(5aR,11aR)-1,10-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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58825813ChemSpider