input word = C00009289

Metabolite InformationStructural formula
Name Cinnamtannin D1
Formula C45H36O18
Mw 864.19016435
CAS RN 97233-06-2
C_ID C00009289 ,
InChIKey BYSRPHRKESMCPO-WYTONMKZNA-N
InChICode InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38-,39-,40-,41-,44-,45+/m1/s1
SMILES c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H]([C@@H]1c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium vitis-idaea Ref.
PlantaeLauraceaeCinnamomum sieboldii Ref.
PlantaeLauraceaeLindera umbellata Ref.
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OrganismLindera umbellata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Morimoto,Chem.Pharm.Bull.,33,(1985),2281

Morimoto,Chem.Pharm.Bull,36,(1988),33