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CHEBI:229117 - Fenfangjine A

ChEBI IDCHEBI:229117
ChEBI NameFenfangjine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H42N2O7
Net Charge0
Average Mass638.761
Monoisotopic Mass638.29920
SMILES[H][C@]12Cc3ccc(OC)c(c3)Oc3ccc(cc3)CC3c4cc(c(OC)cc4CCN3C)Oc3c(OC)c(OC)cc(c31)CC[N+]2(C)[O-]
InChIInChI=1S/C38H42N2O7/c1-39-15-13-25-20-32(43-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)46-33-19-24(9-12-31(33)42-3)18-30-36-26(14-16-40(30,2)41)21-35(44-5)37(45-6)38(36)47-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29?,30-,40?/m0/s1
InChIKeyOPXQVWKPFYXUQZ-JIFZTULISA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Fenfangjine A (CHEBI:229117) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-15-oxido-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Manual XrefsDatabases
4476212ChemSpider