CHEBI:188615 - (+)-Daphmanidin E

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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 (+)-Daphmanidin E
ChEBI ID CHEBI:188615
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H31NO5
Net Charge 0
Average Mass 425.525
Monoisotopic Mass 425.22022
InChI InChI=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
InChIKey KCRZOEFHAZOKQB-HMLMFSKASA-N
SMILES O[C@H]1[C@@]23C(=NC[C@H]2C)[C@@]45[C@]([C@@]1(CCC6=C4C(=C(C5)C(OC)=O)CC6)[H])(CC3)COC(=O)C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing (+)-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
Manual Xref Database
9838576 ChemSpider
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