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CHEBI:226636 - Formicamycin O

ChEBI IDCHEBI:226636
ChEBI NameFormicamycin O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H27ClO8
Net Charge0
Average Mass538.980
Monoisotopic Mass538.13945
SMILESCOc1cc2c(c(-c3c(O)cc(OC)c(Cl)c3C)c1)C(=O)[C@@]1(O)C(=O)c3c(O)cc(O)cc3C(C)(C)[C@H]1C2
InChIInChI=1S/C29H27ClO8/c1-12-22(19(33)11-20(38-5)25(12)30)16-10-15(37-4)6-13-7-21-28(2,3)17-8-14(31)9-18(32)24(17)27(35)29(21,36)26(34)23(13)16/h6,8-11,21,31-33,36H,7H2,1-5H3/t21-,29-/m1/s1
InChIKeyMSTGSKMQIWAVEE-ONOMSOESSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32519857)
ChEBI Ontology
Outgoing Relation(s)
Formicamycin O (CHEBI:226636) is a tetralins (CHEBI:36786)
IUPAC Name 
(5aR,11aR)-7-(3-chloro-6-hydroxy-4-methoxy-2-methylphenyl)-2,4,5a-trihydroxy-9-methoxy-12,12-dimethyl-11,11a-dihydrotetracene-5,6-dione