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CHEBI:208631 - Asperchalasine I

ChEBI IDCHEBI:208631
ChEBI NameAsperchalasine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41NO7
Net Charge0
Average Mass563.691
Monoisotopic Mass563.28830
SMILESCC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)[C@H]2[C@H](C(=O)CCC1)[C@H]1O[C@@H]2c2c(O)c(O)c(O)c(C)c21
InChIInChI=1S/C33H41NO7/c1-13(2)10-19-25-16(5)15(4)12-18-11-14(3)8-7-9-20(35)22-24(31(39)33(18,25)32(40)34-19)30-23-21(29(22)41-30)17(6)26(36)28(38)27(23)37/h11-13,16,18-19,22,24-25,29-30,36-38H,7-10H2,1-6H3,(H,34,40)/t16-,18+,19+,22+,24+,25+,29+,30-,33+/m1/s1
InChIKeyDYLSBOBNFXAKMB-PYTVPKQLSA-N
Species of MetaboliteComponentSourceComments
Mycosphaerella (ncbitaxon:41254) - PubMed (31434338)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Asperchalasine I (CHEBI:208631) has role fungal metabolite (CHEBI:76946)
Asperchalasine I (CHEBI:208631) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1S,2S,4S,7S,8R,9S,12S,19S,20R)-23,24,25-trihydroxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione