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CHEBI:210004 - Xylarichalasin A

ChEBI IDCHEBI:210004
ChEBI NameXylarichalasin A
Stars
Last Modified28 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35Cl2NO6
Net Charge0
Average Mass576.517
Monoisotopic Mass575.18414
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](Cl)[C@H]2C[C@H](C)[C@H]3Cc4ccccc4C(Cl)=C4NC(=O)[C@]21[C@H]43
InChIInChI=1S/C30H35Cl2NO6/c1-12-9-20-23(31)19-10-13(2)30(38,14(3)34)26(36)21(19)27(39-15(4)35)29(20)22-18(12)11-16-7-5-6-8-17(16)24(32)25(22)33-28(29)37/h5-8,12-13,18-23,26-27,36,38H,9-11H2,1-4H3,(H,33,37)/t12-,13-,18+,19+,20+,21-,22-,23-,26+,27+,29-,30+/m0/s1
InChIKeyWKTGXOLKQXRFPA-GYWASYMOSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31403306)
ChEBI Ontology
Outgoing Relation(s)
Xylarichalasin A (CHEBI:210004) is a organic heterohexacyclic compound (CHEBI:51914)
IUPAC Name 
[(1R,2R,3S,4R,5S,6S,8R,9S,10S,12S,13R,25R)-5-acetyl-9,21-dichloro-4,5-dihydroxy-6,12-dimethyl-24-oxo-23-azahexacyclo[11.11.1.01,10.03,8.015,20.022,25]pentacosa-15,17,19,21-tetraen-2-yl] acetate
Citations