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CHEBI:188615 - (+)-Daphmanidin E

ChEBI IDCHEBI:188615
ChEBI Name(+)-Daphmanidin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO5
Net Charge0
Average Mass425.525
Monoisotopic Mass425.22022
SMILES[H][C@]12CCC3=C4C(=C(C(=O)OC)C[C@@]45C4=NC[C@@H](C)[C@@]4(CC[C@]51COC(C)=O)[C@@H]2O)CC3
InChIInChI=1S/C25H31NO5/c1-13-11-26-22-24(13)9-8-23(12-31-14(2)27)18(20(24)28)7-5-15-4-6-16-17(21(29)30-3)10-25(22,23)19(15)16/h13,18,20,28H,4-12H2,1-3H3/t13-,18-,20-,23-,24+,25+/m1/s1
InChIKeyKCRZOEFHAZOKQB-HMLMFSKASA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
(+)-Daphmanidin E (CHEBI:188615) is a indoles (CHEBI:24828)
IUPAC Name 
methyl (1R,5S,6R,9R,10S,20R)-9-(acetyloxymethyl)-20-hydroxy-5-methyl-3-azahexacyclo[11.5.1.16,10.01,9.02,6.016,19]icosa-2,13(19),16-triene-17-carboxylate
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9838576ChemSpider