input word = C00009332

Metabolite InformationStructural formula
Name Camelliatannin C
Formula C49H38O28
Mw 1074.15496064
CAS RN 154524-52-4
C_ID C00009332 ,
InChIKey CAHWVGJOCMGFBC-GPJZIRMANA-N
InChICode InChI=1S/C49H38O28/c50-17-2-1-11(3-18(17)51)42-24(57)4-12-26(74-42)9-19(52)31(32(12)59)41(68)44-45(77-49(72)16-8-23(56)36(63)40(67)30(16)29-15(48(71)76-44)7-22(55)35(62)39(29)66)43-25(58)10-73-46(69)13-5-20(53)33(60)37(64)27(13)28-14(47(70)75-43)6-21(54)34(61)38(28)65/h1-3,5-9,24-25,41-45,50-68H,4,10H2/t24-,25-,41-,42-,43-,44+,45+/m1/s1
SMILES c1([C@H]([C@H]2[C@H]([C@H]3[C@H](O)COC(=O)c4c(c(c(c(c4)O)O)O)c4c(cc(c(c4O)O)O)C(=O)O3)OC(=O)c3cc(c(c(c3c3c(c(c(cc3C(=O)O2)O)O)O)O)O)O)O)c(c2c(cc1O)O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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