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CHEBI:226993 - Curtachalasin F

ChEBI IDCHEBI:226993
ChEBI NameCurtachalasin F
Stars
Last Modified28 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39NO9
Net Charge0
Average Mass557.640
Monoisotopic Mass557.26248
SMILESCC(=O)O[C@@H]1[C@H]2[C@@H](C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O)[C@H](O)[C@H]2[C@H](O)[C@]3(C)O[C@]3(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213
InChIInChI=1S/C30H39NO9/c1-13-11-17-19(23(35)30(13,38)14(2)32)25(39-15(3)33)29-20(21(17)34)24(36)28(5)27(4,40-28)22(29)18(31-26(29)37)12-16-9-7-6-8-10-16/h6-10,13,17-25,34-36,38H,11-12H2,1-5H3,(H,31,37)/t13-,17+,18-,19-,20-,21-,22+,23+,24-,25+,27+,28-,29-,30+/m0/s1
InChIKeyCKRQUOUTXMCYJG-YBMCIQFCSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin F (CHEBI:226993) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
[(1S,2R,3S,4R,5S,6S,8R,9S,10S,11S,12S,14R,15R,16S)-5-acetyl-16-benzyl-4,5,9,11-tetrahydroxy-6,12,14-trimethyl-18-oxo-13-oxa-17-azapentacyclo[8.8.0.01,15.03,8.012,14]octadecan-2-yl] acetate
Citations