input word = C00009116

Metabolite InformationStructural formula
Name Prodelphinidin B3
Gallocatechin-(4alpha->8)-gallocatechin
Formula C30H26O14
Mw 610.13225554
CAS RN 110115-59-8
C_ID C00009116 ,
InChIKey RTEDIEITOBJPNI-AHAMITCENA-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 c12c([C@H]([C@@H]([C@H](O1)c1cc(c(c(c1)O)O)O)O)c1c3c(C[C@H]([C@H](O3)c3cc(c(c(c3)O)O)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeCorylus avellana Ref.
PlantaeCistaceaeCistus incanus Ref.
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaeFagaceaeQuercus dentata Ref.
PlantaeGrossulariaceaeRibes nigrum Ref.
PlantaeHamamelidaceaeHamamelis sp. Ref.
PlantaeRhamnaceaeZiziphus spina-christi Ref.
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OrganismQuercus dentata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Sun,Phytochem.,26,(1987),1825