input word = C00029901

Metabolite InformationStructural formula
Name Capilliposide A
Formula C52H86O23
Mw 1078.55598906
CAS RN 897936-98-0
C_ID C00029901 ,
InChIKey IFQXAVBYISKPEF-MWFNLREVNA-N
InChICode InChI=1S/C52H86O23/c1-46(2)14-27-51-13-12-48(5)22-8-9-30(47(3,4)21(22)10-11-49(48,6)50(51,7)16-29(57)52(27,28(56)15-46)45(66)75-51)72-43-39(74-42-38(65)35(62)32(59)24(17-53)69-42)34(61)26(20-68-43)71-44-40(36(63)33(60)25(18-54)70-44)73-41-37(64)31(58)23(55)19-67-41/h21-45,53-66H,8-20H2,1-7H3/t21-,22+,23-,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,48-,49-,50+,51+,52+/m1/s1
SMILES [C@@H]1(O)[C@@]23[C@@H](C[C@]4([C@@]5(CC[C@H]6C([C@H](CC[C@@H]6[C@]5(CC[C@@]4([C@@H]2CC(C[C@@H]3O)(C)C)O1)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)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)(C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeLysimachia capillipes Ref.
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OrganismLysimachia capillipes
ReferenceTian,Chem.Pharm.Bull.,54,(2006),567