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CHEBI:182871 - Apateline

ChEBI IDCHEBI:182871
ChEBI NameApateline
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FormulaC34H32N2O5
Net Charge0
Average Mass548.639
Monoisotopic Mass548.23112
SMILES[H][C@@]12Cc3ccc(O)c(c3)Oc3ccc(cc3)C[C@@]3([H])c4c(cc(OC)c5c4Oc4cc1c(cc4O5)CCN2)CCN3C
InChIInChI=1S/C34H32N2O5/c1-36-12-10-22-17-31(38-2)33-34-32(22)26(36)14-19-3-6-23(7-4-19)39-28-15-20(5-8-27(28)37)13-25-24-18-30(41-34)29(40-33)16-21(24)9-11-35-25/h3-8,15-18,25-26,35,37H,9-14H2,1-2H3/t25-,26+/m1/s1
InChIKeyAFGMWONXXNDGGE-FTJBHMTQSA-N
ChEBI Ontology
Outgoing Relation(s)
Apateline (CHEBI:182871) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(8R,21S)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
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16735905ChemSpider