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CHEBI:217436 - Amichalasine E

ChEBI IDCHEBI:217436
ChEBI NameAmichalasine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H72N2O13
Net Charge0
Average Mass993.204
Monoisotopic Mass992.50344
SMILESCC1=C[C@@H]2/C=C(\C)CC[C@@H](O)C(=O)[C@@H]3[C@@H](C(=O)O[C@]24C(=O)N[C@@H](CC(C)C)[C@@H]4[C@@H]1C)[C@@]12C(=O)[C@]3(O)C(=O)C(C)=C1[C@H]1O[C@@H]2[C@@H]2C(=O)[C@@]34C(=O)N[C@@H](CC(C)C)[C@@H]3[C@H](C)C(C)=C[C@@H]4/C=C(\C)CC[C@@H](O)C(=O)[C@H]21
InChIInChI=1S/C57H72N2O13/c1-22(2)16-33-39-28(9)26(7)20-31-18-24(5)12-14-35(60)44(62)37-38(48(65)54(31,39)52(68)58-33)49-55-41(46(37)71-49)30(11)47(64)56(70,51(55)67)42-43(55)50(66)72-57-32(19-25(6)13-15-36(61)45(42)63)21-27(8)29(10)40(57)34(17-23(3)4)59-53(57)69/h18-23,28-29,31-40,42-43,46,49,60-61,70H,12-17H2,1-11H3,(H,58,68)(H,59,69)/b24-18+,25-19+/t28-,29-,31+,32+,33+,34+,35-,36-,37+,38+,39+,40+,42+,43+,46+,49-,54+,55+,56-,57-/m1/s1
InChIKeyQIQMDRLGUPMQJB-JHPNLXDLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (32129633)
ChEBI Ontology
Outgoing Relation(s)
Amichalasine E (CHEBI:217436) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,2R,3R,5S,8S,9R,10S,13S,14E,18R,20R,21S,25R,26R,28R,31E,33S,36S,37S,38S,41R,44R)-18,25,28-trihydroxy-10,11,15,23,31,35,36-heptamethyl-8,38-bis(2-methylpropyl)-42,46-dioxa-7,39-diazadecacyclo[23.19.1.12,21.01,22.03,20.05,9.05,13.026,44.033,41.037,41]hexatetraconta-11,14,22,31,34-pentaene-4,6,19,24,27,40,43,45-octone