hyponine D (CHEBI:132388)

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CHEBI:132388 - hyponine D

ChEBI ID	CHEBI:132388
ChEBI Name	hyponine D
Stars
Definition	A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum.
Last Modified	13 July 2016
Submitter	liuqingping
Downloads	Molfile

Formula	C47H50N2O18
Net Charge	0
Average Mass	930.913
Monoisotopic Mass	930.30586
SMILES	[H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@]([H])([C@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChI	InChI=1S/C47H50N2O18/c1-23-24(2)40(54)66-37-35(64-42(56)30-16-12-18-48-20-30)39(63-28(6)53)46(22-59-25(3)50)38(62-27(5)52)34(61-26(4)51)32-36(65-41(55)29-14-10-9-11-15-29)47(46,45(37,8)58)67-44(32,7)21-60-43(57)31-17-13-19-49-33(23)31/h9-20,23-24,32,34-39,58H,21-22H2,1-8H3/t23?,24?,32-,34-,35+,36-,37+,38-,39+,44+,45+,46-,47+/m1/s1
InChIKey	BDKQPFFHSCFTQW-UWRKWEHLSA-N

Species of Metabolite	Component	Source	Comments
Tripterygium hypoglaucum (ncbitaxon:205465)	-	Article (Phytochemistry 52 (1999) 1735-1738)

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	hyponine D (CHEBI:132388) has functional parent nicotinic acid (CHEBI:15940)
	hyponine D (CHEBI:132388) has role plant metabolite (CHEBI:76924)
	hyponine D (CHEBI:132388) is a acetate ester (CHEBI:47622)
	hyponine D (CHEBI:132388) is a benzoate ester (CHEBI:36054)
	hyponine D (CHEBI:132388) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
	hyponine D (CHEBI:132388) is a macrolide (CHEBI:25106)
	hyponine D (CHEBI:132388) is a pyridine alkaloid (CHEBI:26416)
	hyponine D (CHEBI:132388) is a sesquiterpene alkaloid (CHEBI:26657)

Synonym	Source
hyponin D	ChEBI

Manual Xrefs	Databases
C00039395	KNApSAcK

Registry Numbers	Sources
Reaxys:8671241	Reaxys
CAS:259823-31-9	KNApSAcK