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CHEBI:225700 - Asperchalasine H

ChEBI IDCHEBI:225700
ChEBI NameAsperchalasine H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41NO8
Net Charge0
Average Mass579.690
Monoisotopic Mass579.28322
SMILESCC1=C[C@@H]2/C=C(\C)CC[C@@H](O)C(=O)[C@H]3[C@H](C(=O)[C@]24C(=O)N[C@@H](CC(C)C)[C@@H]4[C@@H]1C)[C@H]1O[C@@H]3c2c(O)c(O)c(O)c(C)c21
InChIInChI=1S/C33H41NO8/c1-12(2)9-18-24-15(5)14(4)11-17-10-13(3)7-8-19(35)26(37)22-23(31(40)33(17,24)32(41)34-18)29-20-16(6)25(36)28(39)27(38)21(20)30(22)42-29/h10-12,15,17-19,22-24,29-30,35-36,38-39H,7-9H2,1-6H3,(H,34,41)/b13-10+/t15-,17+,18+,19-,22-,23+,24+,29+,30-,33+/m1/s1
InChIKeyKQRAUHDTXGNMBP-BGLLXYPUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (31674782)
ChEBI Ontology
Outgoing Relation(s)
Asperchalasine H (CHEBI:225700) is a tetralins (CHEBI:36786)
IUPAC Name 
(1R,2S,4S,7S,8R,9S,12S,13E,17R,19S,20S)-17,22,23,24-tetrahydroxy-9,10,14,25-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