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CHEBI:227008 - Curtachalasin I

ChEBI IDCHEBI:227008
ChEBI NameCurtachalasin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38ClNO8
Net Charge0
Average Mass576.086
Monoisotopic Mass575.22859
SMILESCC(=O)O[C@@H]1[C@H]2[C@@H](C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O)C[C@]23O[C@](C)([C@H]4[C@H](Cc5ccccc5)NC(=O)[C@]142)[C@](C)(Cl)[C@H]3O
InChIInChI=1S/C30H38ClNO8/c1-14-11-18-13-28-24(36)26(4,31)27(5,40-28)21-19(12-17-9-7-6-8-10-17)32-25(37)29(21,28)23(39-16(3)34)20(18)22(35)30(14,38)15(2)33/h6-10,14,18-24,35-36,38H,11-13H2,1-5H3,(H,32,37)/t14-,18-,19-,20-,21+,22+,23+,24+,26+,27+,28+,29+,30+/m0/s1
InChIKeyGOIYPYHBJQJZBO-HBMDASTJSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin I (CHEBI:227008) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1S,3S,5S,6S,7R,8S,9R,10S,13S,14R,15R,16R,17S)-6-acetyl-13-benzyl-16-chloro-6,7,17-trihydroxy-5,15,16-trimethyl-11-oxo-18-oxa-12-azapentacyclo[13.2.1.01,10.03,8.010,14]octadecan-9-yl] acetate