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CHEBI:217560 - Waikikiamide C

ChEBI IDCHEBI:217560
ChEBI NameWaikikiamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC54H62N6O11
Net Charge0
Average Mass971.121
Monoisotopic Mass970.44766
SMILESCO[C@@H]1c2c(ccc3c4c(n(O)c23)C(C)(C)[C@@H]2C[C@]35CCCN3C(=O)[C@]2(NC5=O)[C@H]4OC)OC(C)(C)[C@H]1ON1C(=O)[C@@]2(C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)c2ccc3c(c21)C=CC(C)(C)O3
InChIInChI=1S/C54H62N6O11/c1-46(2)20-17-26-29(69-46)16-14-28-35(26)60(43(63)52(28)25-53-32(48(52,5)6)24-51(41(61)55-53)19-11-21-57(51)44(53)64)71-40-37(67-9)34-30(70-49(40,7)8)15-13-27-33-38(59(66)36(27)34)47(3,4)31-23-50-18-12-22-58(50)45(65)54(31,39(33)68-10)56-42(50)62/h13-17,20,31-32,37,39-40,66H,11-12,18-19,21-25H2,1-10H3,(H,55,61)(H,56,62)/t31-,32-,37+,39-,40-,50-,51-,52+,53-,54+/m0/s1
InChIKeyGKOOPMJBANLQKC-DXXYEOPISA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies FM242 (ncbitaxon:2741095) - PubMed (32433885)
ChEBI Ontology
Outgoing Relation(s)
Waikikiamide C (CHEBI:217560) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,7S,9S,11R)-1'-[[(1R,2S,10S,11R,17S,19S)-14-hydroxy-2,11-dimethoxy-9,9,16,16-tetramethyl-24,26-dioxo-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12)-tetraen-10-yl]oxy]-7',7',10,10-tetramethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrano[2,3-g]indole]-2,2',14-trione
Manual XrefsDatabases
84285785ChemSpider