input word = C00032718

Metabolite InformationStructural formula
Name Ardisiamamilloside C
(-)-Ardisiamamilloside C
Ardisimamilloside C
(-)-Ardisimamilloside C
Formula C53H88O22
Mw 1076.5767245
CAS RN 310396-63-5
C_ID C00032718 ,
InChIKey FUEJSDQPLRTIHO-LTDZKHJFNA-N
InChICode InChI=1S/C53H88O22/c1-23-33(59)37(63)40(66)44(69-23)75-43-39(65)35(61)27(19-55)71-47(43)72-28-20-68-46(42(36(28)62)74-45-41(67)38(64)34(60)26(18-54)70-45)73-32-11-12-50(5)29(48(32,2)3)10-13-51(6)30(50)9-8-24-25-16-49(4,21-56)14-15-53(25,22-57)31(58)17-52(24,51)7/h8,23,25-47,54-67H,9-22H2,1-7H3/t23-,25+,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,49+,50+,51-,52-,53-/m1/s1
SMILES [C@@]1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[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[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)C)O)O)CO)C)C)CO)(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
PlantaeMyrsinaceaeArdisia mamillata HANCE. Ref.
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