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CHEBI:217289 - Pchaeglobolactone A

ChEBI IDCHEBI:217289
ChEBI NamePchaeglobolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O5
Net Charge0
Average Mass530.665
Monoisotopic Mass530.27807
SMILESC/C1=C\[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@]3(C)OC(=O)[C@@]24C(=N[C@@H](Cc2cnc5ccccc25)[C@@H]4[C@@H]3C)CC[C@H](O)C1=O
InChIInChI=1S/C32H38N2O5/c1-17-8-7-10-22-29(37)31(4)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-26(32(22,27)30(38)39-31)13-12-25(35)28(36)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35,37H,8,12-13,15H2,1-4H3/b10-7+,18-14+/t17-,19-,22-,24-,25-,27-,29-,31+,32+/m0/s1
InChIKeyIVWVYTHRUFDPRJ-USMZZGTESA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (33270452)
ChEBI Ontology
Outgoing Relation(s)
Pchaeglobolactone A (CHEBI:217289) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2S,3R,4S,9S,11E,13S,15E,17R,18R,21S)-9,21-dihydroxy-4-(1H-indol-3-ylmethyl)-1,2,11,13-tetramethyl-20-oxa-5-azatetracyclo[15.3.1.03,18.06,18]henicosa-5,11,15-triene-10,19-dione