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 c1(cc2c(c(c1)O)[C@H]([C@@H]([C@H](O2)c1cc(c(c(c1)O)O)O)O)c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(c(c(c1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeOstrya virginiana Ref.
PlantaeFabaceaeTrifolium repens L. Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeGrossulariaceaeRibes sanguineum Ref.
PlantaePhyllanthaceaeCleistanthus collinus Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismRibes sanguineum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter45