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CHEBI:227013 - Curtachalasin J

ChEBI IDCHEBI:227013
ChEBI NameCurtachalasin J
Stars
Last Modified28 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39NO8
Net Charge0
Average Mass541.641
Monoisotopic Mass541.26757
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(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213
InChIInChI=1S/C30H39NO8/c1-13-11-19-21(26(36)30(13,38)16(4)32)27(39-17(5)33)29-22(14(2)15(3)24(34)23(29)25(19)35)20(31-28(29)37)12-18-9-7-6-8-10-18/h6-10,13,19-27,34-36,38H,11-12H2,1-5H3,(H,31,37)/t13-,19+,20-,21-,22-,23+,24+,25-,26+,27+,29+,30+/m0/s1
InChIKeyPZEYZPGMULDSAE-RLNAPVKGSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin J (CHEBI:227013) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
[(1R,2R,3S,4R,5S,6S,8R,9S,10S,11S,14R,15S)-5-acetyl-15-benzyl-4,5,9,11-tetrahydroxy-6,12,13-trimethyl-17-oxo-16-azatetracyclo[8.7.0.01,14.03,8]heptadec-12-en-2-yl] acetate
Citations