input word = C00049678

Metabolite InformationStructural formula
Name Snatzkein F
(+)-Snatzkein F
Formula C54H84O21
Mw 1068.55050975
CAS RN 229486-42-4
C_ID C00049678 ,
InChIKey GIOGFSNKYHZMLD-ZQHAWFBSNA-N
InChICode InChI=1S/C54H84O21/c1-24-40(72-44-37(63)34(60)29(58)22-67-44)36(62)39(65)45(68-24)74-43-42(73-46-38(64)35(61)30(21-55)71-46)41(70-26(3)57)25(2)69-47(43)75-48(66)54-18-16-49(4,5)20-28(54)27-10-11-32-50(6)14-13-33(59)51(7,23-56)31(50)12-15-53(32,9)52(27,8)17-19-54/h10,23-25,28-47,55,58-65H,11-22H2,1-9H3/t24-,25+,28-,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,50+,51-,52+,53+,54-/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@]2(CC[C@@H]([C@]1(C=O)C)O)C)C)C)C(=O)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)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeArenaria filicaulis Ref.
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OrganismArenaria filicaulis
ReferenceSoliman,J.Nat.Prod.,62,(1999),885