input word = C00038502

Metabolite InformationStructural formula
Name Ardisianoside H
(-)-Ardisianoside H
Formula C70H114O37
Mw 1546.70389466
CAS RN 932018-34-3
C_ID C00038502 ,
InChIKey WCJAQHZDGNSJBM-IZJLMBJUNA-N
InChICode InChI=1S/C70H114O37/c1-64(2)14-15-69-34(16-64)70(107-63(69)92)13-9-33-66(5)11-10-36(65(3,4)32(66)8-12-67(33,6)68(70,7)17-35(69)77)101-61-54(105-59-49(90)45(86)40(81)28(20-73)97-59)42(83)31(24-94-61)100-62-55(106-56-46(87)37(78)25(76)23-93-56)52(41(82)29(21-74)98-62)103-60-50(91)53(104-58-48(89)44(85)39(80)27(19-72)96-58)51(30(22-75)99-60)102-57-47(88)43(84)38(79)26(18-71)95-57/h25-62,71-91H,8-24H2,1-7H3/t25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52-,53-,54+,55+,56-,57-,58-,59-,60-,61-,62-,66+,67+,68-,69+,70-/m0/s1
SMILES C1[C@@H]2[C@]3(CCC1(C)C)[C@@H](C[C@@]1([C@@]2(CC[C@H]2[C@]1(CC[C@@H]1[C@]2(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]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)O)C)C)OC3=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
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