input word = C00002923

Metabolite InformationStructural formula
Name Prodelphinidin B4
Gallocatechin-(4alpha->8)-epigallocatechin
Formula C30H26O14
Mw 610.13225554
CAS RN 68964-95-4
C_ID C00002923 ,
InChIKey RTEDIEITOBJPNI-YMVDXMSKNA-N
InChICode InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1
SMILES Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeOstrya virginiana Ref.
PlantaeCistaceaeCistus creticus Ref.
PlantaeFabaceaeTrifolium repens L. Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeGrossulariaceaeRibes sanguineum Ref.
PlantaePhyllanthaceaeCleistanthus collinus Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismVicia faba
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Foo,J.Chem.Soc.Perkin Trans.,1,(1978),1186