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CHEBI:177828 - Anhweidelphinine

ChEBI IDCHEBI:177828
ChEBI NameAnhweidelphinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44N2O10
Net Charge0
Average Mass652.741
Monoisotopic Mass652.29960
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N=C[C@]4(COC(=O)c5ccccc5N5C(=O)CC(C)C5=O)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17?,19-,20-,22+,23+,25-,26+,27-,28+,31?,32+,33-,34+,35-/m1/s1
InChIKeyZXTOPWJFZABXSX-RFLWDBSASA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Anhweidelphinine (CHEBI:177828) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-en-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Manual XrefsDatabases
23327305ChemSpider