input word = C00045636

Metabolite InformationStructural formula
Name Anguivioside III
(-)-Anguivioside III
Formula C44H70O18
Mw 886.45621543
CAS RN 185332-49-4
C_ID C00045636 ,
InChIKey YGPVRHSBAWKDQT-ZGLKDXOXNA-N
InChICode InChI=1S/C44H70O18/c1-17-12-28(47)44(62-38(17)54)18(2)29-26(61-44)14-24-22-7-6-20-13-21(8-10-42(20,4)23(22)9-11-43(24,29)5)57-41-37(60-40-35(53)33(51)30(48)19(3)56-40)36(32(50)27(15-45)58-41)59-39-34(52)31(49)25(46)16-55-39/h6,17-19,21-41,45-54H,7-16H2,1-5H3/t17-,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@@H]([C@]2(O3)[C@H](C[C@H]([C@@H](O2)O)C)O)C)C)C1)C)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum anguivi Ref.
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