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CHEBI:217548 - Waikikiamide A

ChEBI IDCHEBI:217548
ChEBI NameWaikikiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H39N3O9
Net Charge0
Average Mass717.775
Monoisotopic Mass717.26863
SMILESCOc1cc2cc3c(c(O)c2c2c1[C@@H]1[C@@]45NC(=O)[C@]6(CCCN6C4=O)C[C@H]5C(C)(C)C4=[N+]([O-])c5c(ccc6c5C=CC(C)(C)O6)[C@]41O2)C(=O)O[C@H](C)C3
InChIInChI=1S/C41H39N3O9/c1-18-14-19-15-20-16-24(50-6)28-31(26(20)30(45)27(19)33(46)51-18)53-41-22-8-9-23-21(10-12-37(2,3)52-23)29(22)44(49)34(41)38(4,5)25-17-39-11-7-13-43(39)36(48)40(25,32(28)41)42-35(39)47/h8-10,12,15-16,18,25,32,45H,7,11,13-14,17H2,1-6H3,(H,42,47)/t18-,25+,32-,39+,40-,41-/m1/s1
InChIKeyZHLAIRYCTDNCBP-DKGQAOFKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies FM242 (ncbitaxon:2741095) - PubMed (32433885)
ChEBI Ontology
Outgoing Relation(s)
Waikikiamide A (CHEBI:217548) is a organic heterotricyclic compound (CHEBI:26979)
Waikikiamide A (CHEBI:217548) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2R,10R,18S,32S,34S)-14-hydroxy-4-methoxy-10,24,24,31,31-pentamethyl-29-oxido-11,17,23-trioxa-38,40-diaza-29-azoniaundecacyclo[32.5.2.01,32.02,18.03,16.06,15.08,13.018,30.019,28.022,27.034,38]hentetraconta-3(16),4,6,8(13),14,19(28),20,22(27),25,29-decaene-12,39,41-trione
Manual XrefsDatabases
84285783ChemSpider