CHEBI:177828 - Anhweidelphinine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anhweidelphinine
ChEBI ID CHEBI:177828
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H44N2O10
Net Charge 0
Average Mass 652.741
Monoisotopic Mass 652.29960
InChI InChI=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
InChIKey ZXTOPWJFZABXSX-RFLWDBSASA-N
SMILES O[C@]12C3N=C[C@]4([C@]([C@]3([C@]5([C@]6([C@]1(O)C[C@H](OC)[C@@](C5)([C@@H]6OC)[H])[H])[H])[C@@H](OC)CC4)([C@@H]2OC)[H])COC(=O)C=7C(N8C(=O)C(CC8=O)C)=CC=CC7
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
23327305 ChemSpider
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