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CHEBI:202249 - Ansalactam D

ChEBI IDCHEBI:202249
ChEBI NameAnsalactam D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H39NO6
Net Charge0
Average Mass545.676
Monoisotopic Mass545.27774
SMILESC/C1=C/[C@@H](C)/C=C(\C)C(=O)[C@@H](C)[C@@H]2[C@@H](CC(C)C)C(=O)N[C@@]23CC24OC(C)(C(=O)c5c(O)c(C)cc(c52)C3=O)C14
InChIInChI=1S/C33H39NO6/c1-14(2)9-21-23-19(7)25(35)16(4)10-15(3)11-18(6)27-31(8)29(38)22-24-20(12-17(5)26(22)36)28(37)32(23,34-30(21)39)13-33(24,27)40-31/h10-12,14-15,19,21,23,27,36H,9,13H2,1-8H3,(H,34,39)/b16-10+,18-11-/t15-,19-,21+,23+,27?,31?,32-,33?/m0/s1
InChIKeyTWPQEZUPODYQBS-DYNAJXKYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (27120128)
ChEBI Ontology
Outgoing Relation(s)
Ansalactam D (CHEBI:202249) is a tetralins (CHEBI:36786)
IUPAC Name 
(3Z,5R,6E,9S,10R,11R,14S)-19-hydroxy-3,5,7,9,18,22-hexamethyl-11-(2-methylpropyl)-23-oxa-13-azahexacyclo[12.9.1.11,16.02,22.010,14.020,25]pentacosa-3,6,16(25),17,19-pentaene-8,12,15,21-tetrone
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78445091ChemSpider