input word = C00029896

Metabolite InformationStructural formula
Name Camellioside C
(-)-Camellioside C
Formula C53H82O23
Mw 1086.52468893
CAS RN 380303-68-4
C_ID C00029896 ,
InChIKey SKIHUNYUOHGHDD-VEBJVXNVNA-N
InChICode InChI=1S/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68)/t25-,26-,27-,28+,29-,30+,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43-,45+,46+,47+,48-,51+,52-,53-/m1/s1
SMILES C1(CCC2=C(C1)C1=CC[C@H]3[C@]([C@@]1(CC2=O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)C(=O)O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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