input word = C00009076

Metabolite InformationStructural formula
Name Procyanidin B5
Epicatechin-(4beta-6)-epicatechin
Formula C30H26O12
Mw 578.1424263
CAS RN 12798-57-1
C_ID C00009076 ,
InChIKey GMISZFQPFDAPGI-CHOHJSMINA-N
InChICode InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26+,28-,29-,30-/m1/s1
SMILES c1c(ccc(c1O)O)[C@H]1Oc2c(C[C@H]1O)c(c(c(c2)O)[C@H]1[C@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
PlantaeDavalliaceaeDavallia mariesii Ref.
PlantaeDioscoreaceaeDioscorea cirrhosa Ref.
PlantaeEricaceaeCalluna vulgaris Ref.
PlantaeEricaceaeVaccinium vitis-idaea Ref.
PlantaeFabaceaeCampylotropis hirella Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeLauraceaeCinnamomum bejolghota Ref.
PlantaeLauraceaeCinnamomum cassia Blume. Ref.
PlantaeLauraceaeCinnamomum obtusifolium Nees. Ref.
PlantaeLauraceaeCinnamomum spp. Ref.
PlantaeLauraceaeLaurus nobilis Ref.
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaePinaceaePinus radiata Ref.
PlantaePinaceaePinus taeda Ref.
PlantaePolygonaceaeFagopyrum esculentum Ref.
PlantaePolygonaceaeFagopyrum homotropicum Ref.
PlantaePolygonaceaeRumex thyrsiflorus Ref.
PlantaeRosaceaeColeogyne ramosissima Torr. Ref.
PlantaeRosaceaeMalus sylvestris Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismRubus spp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Fletcher,J.Chem.Soc.Perkin Trans.,1,(1977),1628