input word = C00008931

Metabolite InformationStructural formula
Name Assamicain C
Formula C44H36O22
Mw 916.16982284
CAS RN 121795-67-3
C_ID C00008931 ,
InChIKey XSADEAZFHSSYFT-KBBBOLCNNA-N
InChICode InChI=1S/C44H36O22/c45-19-11-22(46)21(23(47)12-19)13-33(64-42(62)17-7-29(53)38(59)30(54)8-17)34(15-4-27(51)37(58)28(52)5-15)35-24(48)6-16-1-20(14-2-25(49)36(57)26(50)3-14)44(65-41(16)40(35)61)66-43(63)18-9-31(55)39(60)32(56)10-18/h2-12,20,33-34,44-61H,1,13H2/t20-,33-,34+,44+/m1/s1
SMILES O=C(O[C@@H]1Oc2c(cc(O)c(C(c3cc(O)c(O)c(O)c3)[C@@H](Cc3c(O)cc(O)cc3O)OC(=O)c3cc(O)c(O)c(O)c3)c2O)C[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
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OrganismCamellia sinensis var. assamica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Hashimoto,Chem.Pharm.Bull.,37,(1989),77