input word = C00054714

Metabolite InformationStructural formula
Name Alloside B
Formula C39H66O14
Mw 758.44525682
CAS RN 142735-55-5
C_ID C00054714
InChIKey JPJDIOVDAAVUNF-JOWQKJOLSA-N
InChICode InChI=1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36?,37+,38+,39+/m1/s1
SMILES CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium stipitatum Ref.
PlantaeAlliaceaeAllium suvorovii Ref.
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