input word = C00050045

Metabolite InformationStructural formula
Name Cyclaminorin
Formula C47H76O18
Mw 928.50316563
CAS RN 186648-67-9
C_ID C00050045 ,
InChIKey COSOLZZFQIVEIH-QMGMARFZNA-N
InChICode InChI=1S/C47H76O18/c1-41(2)25-7-11-44(5)26(8-12-47-27-15-42(3,20-50)13-14-46(27,21-60-47)28(51)16-45(44,47)6)43(25,4)10-9-29(41)64-40-37(65-39-36(58)34(56)31(53)23(18-49)62-39)32(54)24(19-59-40)63-38-35(57)33(55)30(52)22(17-48)61-38/h20,22-40,48-49,51-58H,7-19,21H2,1-6H3/t22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,42+,43-,44-,45+,46-,47+/m1/s1
SMILES CC1(C)[C@@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC[C@]45OC[C@@]6(CC[C@](C)(C=O)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeCyclamen mirabile Ref.
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OrganismCyclamen mirabile
ReferenceCalis,J.Nat.Prod.,60,(1997),315