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CHEBI:6647 - mahuannin D

ChEBI IDCHEBI:6647
ChEBI Namemahuannin D
Stars
DefinitionA proanthocyanidin isolated form Ephedra sinica.
Last Modified12 June 2015
DownloadsMolfile
FormulaC30H24O9
Net Charge0
Average Mass528.513
Monoisotopic Mass528.14203
SMILESOc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3C[C@](c5ccc(O)cc5)(Oc5cc(O)cc(O)c53)O4)C[C@H]2O)cc1
InChIInChI=1S/C30H24O9/c31-16-5-1-14(2-6-16)28-23(36)11-19-21(34)12-25-27(29(19)37-28)20-13-30(39-25,15-3-7-17(32)8-4-15)38-24-10-18(33)9-22(35)26(20)24/h1-10,12,20,23,28,31-36H,11,13H2/t20?,23-,28-,30+/m1/s1
InChIKeyBHGCRZWUKWPRDM-TZVIJXGFSA-N
Species of MetaboliteComponentSourceComments
Ephedra sinica (ncbitaxon:33152) root (BTO:0001188) PubMed (18975262)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
mahuannin D (CHEBI:6647) has role plant metabolite (CHEBI:76924)
mahuannin D (CHEBI:6647) is a hydroxyflavan (CHEBI:72010)
mahuannin D (CHEBI:6647) is a proanthocyanidin (CHEBI:26267)
IUPAC Name 
(2R,3R,8S)-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13-tetrol
Synonym  Source
ent-Apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechinKEGG COMPOUND
Manual XrefsDatabases
C10234KEGG COMPOUND
C00002930KNApSAcK
LMPK12030014LIPID MAPS
Registry NumbersSources
Reaxys:6031443Reaxys
CAS:88010-42-8KEGG COMPOUND
Citations