input word = C00039564

Metabolite InformationStructural formula
Name Kolokoside D
(-)-Kolokoside D
Formula C36H58O10
Mw 650.40299807
CAS RN 932034-67-8
C_ID C00039564 ,
InChIKey RSMJJPJAEKNFLV-UCBMXNKYNA-N
InChICode InChI=1S/C36H58O10/c1-17(2)20-16-44-30(43)28-34(6)12-11-18-19(35(34,7)14-24(39)36(20,28)8)9-10-23-32(3,4)29(21(38)13-33(18,23)5)46-31-27(42)26(41)25(40)22(15-37)45-31/h11,17,19-29,31,37-42H,9-10,12-16H2,1-8H3/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28-,29-,31-,33+,34-,35+,36-/m0/s1
SMILES CC(C)[C@H]1COC(=O)[C@@H]2[C@]1(C)[C@H](O)C[C@]1(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@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria sp. Ref.
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