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CHEBI:226628 - 2,18-seco-lankacidinol A

ChEBI IDCHEBI:226628
ChEBI Name2,18-seco-lankacidinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO7
Net Charge0
Average Mass461.555
Monoisotopic Mass461.24135
SMILESCC1=C2OC(NC(=O)[C@H](C)O)/C=C(C)/C=C/[C@@H](O)C/C=C(C)/C=C/[C@@H](O)C[C@@H](OC1=O)[C@H]2C
InChIInChI=1S/C25H35NO7/c1-14-6-9-19(28)10-8-15(2)12-22(26-24(30)18(5)27)33-23-16(3)21(13-20(29)11-7-14)32-25(31)17(23)4/h6-8,10-12,16,18-22,27-29H,9,13H2,1-5H3,(H,26,30)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19+,20-,21-,22?/m1/s1
InChIKeyLZERGKNRPCCRIG-XXIIUPJLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29348529)
ChEBI Ontology
Outgoing Relation(s)
2,18-seco-lankacidinol A (CHEBI:226628) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S)-N-[(4E,6E,8S,10E,12E,14S,16R,20R)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanamide