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CHEBI:69565 - Yuanhuadine

ChEBI IDCHEBI:69565
ChEBI NameYuanhuadine
Stars
DefinitionA natural product found in Daphne genkwa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H42O10
Net Charge0
Average Mass586.678
Monoisotopic Mass586.27780
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@@]3([H])O[C@@]4(/C=C/C=C/CCCCC)O[C@@]21[C@H](C)[C@@H](OC(C)=O)[C@]3(C(=C)C)O4
InChIInChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1
InChIKeyNHELFTYSELEEFD-SVAWBNMMSA-N
Species of MetaboliteComponentSourceComments
Daphne genkwa (IPNI:831227-1) flower (BTO:0000469) PubMed (21916433) Isolated from chloroform soluble extract of flowers
Roles Classification
Biological Role:
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)
Yuanhuadine (CHEBI:69565) has role metabolite (CHEBI:25212)
Yuanhuadine (CHEBI:69565) is a diterpenoid (CHEBI:23849)
Synonyms  Source
(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-1,3-nonadien-1-yl]-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.0(1,11).0(2,6).0(8,10 ).0(12,16)]nonadec-3-en-17-yl acetateChEBI
(12-beta,22E,24E)-12-(acetyloxy)-22,23,24,25-tetradehydro-simplexinChEBI
Registry NumbersSources
CAS:76402-66-9ChemIDplus
Citations