input word = C00002935

Metabolite InformationStructural formula
Name Procyanidin B4
Catechin-(4alpha->8)-epicatechin
Formula C30H26O12
Mw 578.1424263
CAS RN 29106-51-2
C_ID C00002935 ,
InChIKey XFZJEEAOWLFHDH-MDUHQJCGNA-N
InChICode InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27-,28-,29+/m0/s1
SMILES [C@H]1([C@@H](Oc2c(C1)c(cc(c2[C@@H]1[C@@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum burkwoodii Ref.
PlantaeCelastraceaeTripterygium hypoglaucum Ref.
PlantaeEricaceaeVaccinium myritillus Ref.
PlantaeEricaceaeVaccinium vitis-idaea Ref.
PlantaeFabaceaeArachis hypogaea Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeLauraceaeLaurus nobilis Ref.
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaePinaceaePicea abies Ref.
PlantaeRosaceaeColeogyne ramosissima Torr. Ref.
PlantaeRosaceaeCowania mexicana Ref.
PlantaeRosaceaeCrataegus oxyacantha Ref.
PlantaeRosaceaeMalus spp. Ref.
PlantaeRosaceaeRubus fruticosus Ref.
PlantaeRosaceaeRubus idaeus Ref.
PlantaeSalicaceaeSalix daphnoides Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeVitaceaeVitis vinifera Ref.
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