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CHEBI:226989 - Curtachalasin P

ChEBI IDCHEBI:226989
ChEBI NameCurtachalasin P
Stars
Last Modified28 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESCC(=O)O[C@@H]1[C@@H]2C(=C[C@H](C)C(=O)[C@]1(C)O)C[C@H]1[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]13[C@@H]2O
InChIInChI=1S/C30H37NO7/c1-14-11-19-13-20-24(33)16(3)15(2)23-21(12-18-9-7-6-8-10-18)31-28(36)30(20,23)26(35)22(19)27(38-17(4)32)29(5,37)25(14)34/h6-11,14,20-24,26-27,33,35,37H,12-13H2,1-5H3,(H,31,36)/t14-,20-,21-,22+,23-,24+,26+,27+,29-,30-/m0/s1
InChIKeyDOHBXOVIMMEDIQ-BGIMJZLGSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin P (CHEBI:226989) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
[(1R,2R,3R,4R,5R,7S,11R,12S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,13,14-tetramethyl-6,18-dioxo-17-azatetracyclo[9.7.0.01,15.03,9]octadeca-8,13-dien-4-yl] acetate
Citations