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CHEBI:214135 - Phomachalasin A

ChEBI IDCHEBI:214135
ChEBI NamePhomachalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46N2O9
Net Charge0
Average Mass674.791
Monoisotopic Mass674.32033
SMILESC=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C=CC2=C(C(=O)CCC[C@@H](C)C/C=C/C3[C@@H]1O)C(OC)C1C(O)C(O)C21C(N)=O
InChIInChI=1S/C38H46N2O9/c1-19-10-8-14-24-31(43)21(3)20(2)29-25(18-22-12-6-5-7-13-22)40-36(47)38(24,29)49-27(42)17-16-23-28(26(41)15-9-11-19)33(48-4)30-32(44)34(45)37(23,30)35(39)46/h5-8,12-14,16-17,19-20,24-25,29-34,43-45H,3,9-11,15,18H2,1-2,4H3,(H2,39,46)(H,40,47)/b14-8+,17-16?/t19-,20+,24?,25-,29?,30?,31+,32?,33?,34?,37?,38+/m0/s1
InChIKeyZYWWYGXERSNBPU-LLUMNTQPSA-N
Species of MetaboliteComponentSourceComments
Boeremia exigua (ncbitaxon:749465) - DOI (10.1016/j.tet.2010.12.058)
ChEBI Ontology
Outgoing Relation(s)
Phomachalasin A (CHEBI:214135) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,17R,19E,22S,24S,26S)-26-benzyl-8,9,22-trihydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13,28-trioxo-2-oxa-27-azapentacyclo[19.7.0.01,25.06,12.07,10]octacosa-4,6(12),19-triene-7-carboxamide