input word = C00038495

Metabolite InformationStructural formula
Name Ardisianoside A
(-)-Ardisianoside A
Formula C70H116O36
Mw 1532.7246301
CAS RN 932018-27-4
C_ID C00038495 ,
InChIKey YRTDPWGTGFRWCS-OGZMFQDTNA-N
InChICode InChI=1S/C70H116O36/c1-64(2)14-15-69-25-94-70(35(69)16-64)13-9-34-66(5)11-10-37(65(3,4)33(66)8-12-67(34,6)68(70,7)17-36(69)77)101-62-55(105-60-50(90)46(86)41(81)29(20-73)97-60)43(83)32(24-93-62)100-63-56(106-57-47(87)38(78)26(76)23-92-57)53(42(82)30(21-74)98-63)103-61-51(91)54(104-59-49(89)45(85)40(80)28(19-72)96-59)52(31(22-75)99-61)102-58-48(88)44(84)39(79)27(18-71)95-58/h26-63,71-91H,8-25H2,1-7H3/t26-,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-,63-,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)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
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