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CHEBI:212070 - Mangromicin D

ChEBI IDCHEBI:212070
ChEBI NameMangromicin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O7
Net Charge0
Average Mass410.507
Monoisotopic Mass410.23045
SMILESCCC[C@H]1C(O)=C2CC[C@@]3(C)C[C@H](C)[C@@H](O3)[C@H](O)C[C@@H](CO)C(=O)C[C@H]1OC2=O
InChIInChI=1S/C22H34O7/c1-4-5-14-18-9-16(24)13(11-23)8-17(25)20-12(2)10-22(3,29-20)7-6-15(19(14)26)21(27)28-18/h12-14,17-18,20,23,25-26H,4-11H2,1-3H3/t12-,13-,14+,17+,18+,20+,22-/m0/s1
InChIKeyIIDOCTWLIASAJW-UPSIKXSWSA-N
Species of MetaboliteComponentSourceComments
Lentzea (ncbitaxon:165301) - PubMed (24690908)
ChEBI Ontology
Outgoing Relation(s)
Mangromicin D (CHEBI:212070) is a pyranone (CHEBI:37963)
IUPAC Name 
(4S,6S,7R,8R,10S,13R,17R)-8,16-dihydroxy-10-(hydroxymethyl)-4,6-dimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione
Manual XrefsDatabases
78437460ChemSpider