input word = C00057489

Metabolite InformationStructural formula
Name Phytolaccoside A
Formula C36H56O10
Mw 648.38734801
CAS RN 65608-00-6
C_ID C00057489
InChIKey NSIBODJHRJTEFG-VUDYRQTBSA-N
InChICode InChI=1S/C36H56O10/c1-31(30(43)44-6)13-15-36(29(41)42)16-14-34(4)20(21(36)17-31)7-8-24-32(2)11-10-25(46-28-27(40)26(39)22(38)18-45-28)33(3,19-37)23(32)9-12-35(24,34)5/h7,21-28,37-40H,8-19H2,1-6H3,(H,41,42)/t21-,22+,23+,24+,25-,26-,27+,28-,31-,32-,33-,34+,35+,36-/m0/s1
SMILES COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca americana Ref.
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