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CHEBI:226998 - Curtachalasin G

ChEBI IDCHEBI:226998
ChEBI NameCurtachalasin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESC=C1[C@@H](O)C2=C[C@@H]3C[C@H](C)[C@@](O)(C(C)=O)[C@H](O)[C@H]3[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C30H37NO7/c1-14-11-20-13-21-25(34)16(3)15(2)24-22(12-19-9-7-6-8-10-19)31-28(36)29(21,24)27(38-18(5)33)23(20)26(35)30(14,37)17(4)32/h6-10,13-15,20,22-27,34-35,37H,3,11-12H2,1-2,4-5H3,(H,31,36)/t14-,15+,20-,22-,23-,24-,25+,26+,27+,29-,30+/m0/s1
InChIKeyDUZRDPBKRFKZGY-QWLISCTFSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin G (CHEBI:226998) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2R,3S,4R,5S,6S,8S,11R,13S,14R,15S)-5-acetyl-15-benzyl-4,5,11-trihydroxy-6,13-dimethyl-12-methylidene-17-oxo-16-azatetracyclo[8.7.0.01,14.03,8]heptadec-9-en-2-yl] acetate