input word = C00059445

Metabolite InformationStructural formula
Name Assamicain B
Formula C44H36O22
Mw 916.16982284
CAS RN 121844-27-7
C_ID C00059445
InChIKey SKYSKYXPHIEIOH-HGFNXMTOSA-N
InChICode InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2/t33-,34-,35+,41-/m1/s1
SMILES O=C(OC1Cc2c(O)cc(O)c(C(c3cc(O)c(O)c(O)c3)C(Cc3c(O)cc(O)cc3O)OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(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 Ref.
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