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CHEBI:225695 - Asperchalasine E

ChEBI IDCHEBI:225695
ChEBI NameAsperchalasine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H43NO8
Net Charge0
Average Mass593.717
Monoisotopic Mass593.29887
SMILESCOc1c(O)c(C)c2c(c1O)[C@@H]1O[C@H]2[C@H]2C(=O)[C@H](O)CC/C(C)=C/[C@H]3C=C(C)[C@@H](C)[C@H]4[C@H](CC(C)C)NC(=O)[C@]43C(=O)[C@@H]21
InChIInChI=1S/C34H43NO8/c1-13(2)10-19-25-16(5)15(4)12-18-11-14(3)8-9-20(36)27(38)23-24(32(40)34(18,25)33(41)35-19)30-22-21(29(23)43-30)17(6)26(37)31(42-7)28(22)39/h11-13,16,18-20,23-25,29-30,36-37,39H,8-10H2,1-7H3,(H,35,41)/b14-11+/t16-,18+,19+,20-,23-,24+,25+,29-,30+,34+/m1/s1
InChIKeyHMFDSIGNMYZFJO-NAVKJBOMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (31674782)
ChEBI Ontology
Outgoing Relation(s)
Asperchalasine E (CHEBI:225695) is a tetralins (CHEBI:36786)
IUPAC Name 
(1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-17,23,25-trihydroxy-24-methoxy-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