input word = C00039561

Metabolite InformationStructural formula
Name Kolokoside A
(-)-Kolokoside A
Formula C36H58O10
Mw 650.40299807
CAS RN 932034-64-5
C_ID C00039561 ,
InChIKey KTRZOFQWEWCGPB-RGYRKWGHNA-N
InChICode InChI=1S/C36H58O10/c1-17(2)18(3)36(9)24(39)15-35(8)20-10-11-23-32(4,5)29(46-31-27(42)26(41)25(40)22(16-37)45-31)21(38)14-33(23,6)19(20)12-13-34(35,7)28(36)30(43)44/h12,17-18,20-23,25-29,31,37-38,40-42H,10-11,13-16H2,1-9H3,(H,43,44)/t18-,20+,21-,22-,23-,25-,26+,27-,28+,29+,31+,33-,34+,35-,36+/m1/s1
SMILES CC(C)[C@@H](C)[C@@]1(C)C(=O)C[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)C3=CC[C@@]2(C)[C@@H]1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria sp. Ref.
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