input word = C00003756

Metabolite InformationStructural formula
Name Taccalonolide A
Formula C36H46O14
Mw 702.28875618
CAS RN 108885-68-3
C_ID C00003756 ,
InChIKey PTTJLTMUKRRHAT-GZVBGUSBNA-N
InChICode InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17+,18-,20-,21-,22+,23+,24-,26+,27-,28-,29-,30-,31-,33+,34+,35-,36+/m0/s1
SMILES CC(=O)O[C@@H]1[C@H]2[C@H]3[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H]2[C@@H]1[C@]1(C)C(=C[C@H]2C)OC(=O)[C@@]1(C)O)[C@]1(C)[C@H](C[C@@H]2O[C@@H]2[C@@H]1OC(C)=O)C(=O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaccaceaeTacca plantaginea Ref.
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