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CHEBI:211075 - Mangromicin I

ChEBI IDCHEBI:211075
ChEBI NameMangromicin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O7
Net Charge0
Average Mass408.491
Monoisotopic Mass408.21480
SMILESC=C1C(=O)C[C@H]2OC(=O)C(=C(O)[C@@H]2CC)CC[C@@]2(C)C[C@H](C)[C@@H](O2)[C@H](O)[C@H]1OC
InChIInChI=1S/C22H32O7/c1-6-13-16-9-15(23)12(3)20(27-5)18(25)19-11(2)10-22(4,29-19)8-7-14(17(13)24)21(26)28-16/h11,13,16,18-20,24-25H,3,6-10H2,1-2,4-5H3/t11-,13+,16+,18-,19+,20-,22-/m0/s1
InChIKeyDSYNVIWHKLRCQJ-LGUCFFLXSA-N
Species of MetaboliteComponentSourceComments
Lentzea (ncbitaxon:165301) - PubMed (24690908)
ChEBI Ontology
Outgoing Relation(s)
Mangromicin I (CHEBI:211075) is a pyranone (CHEBI:37963)
IUPAC Name 
(4S,6S,7R,8S,9S,13R,17R)-17-ethyl-8,16-dihydroxy-9-methoxy-4,6-dimethyl-10-methylidene-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione
Manual XrefsDatabases
78437435ChemSpider