CHEBI:217548 - Waikikiamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Waikikiamide A
ChEBI ID CHEBI:217548
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H39N3O9
Net Charge 0
Average Mass 717.775
Monoisotopic Mass 717.26863
InChI InChI=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
InChIKey ZHLAIRYCTDNCBP-DKGQAOFKSA-N
SMILES O=C1O[C@@H](CC=2C1=C(O)C=3C(=CC(OC)=C4C3O[C@@]56C7=C(C8=C(OC(C)(C)C=C8)C=C7)[N+](=C5C(C)(C)[C@H]9[C@]%10([C@@H]46)NC(=O)[C@]%11(CCCN%11C%10=O)C9)[O-])C2)C
Metabolite of Species Details
Aspergillusspecies FM242 (NCBI:txid2741095) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
84285783 ChemSpider
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