input word = C00003542

Metabolite InformationStructural formula
Name Esculentoside B
Phytolaccasaponin G
Phytolaccoside B
Formula C36H56O11
Mw 664.38226263
CAS RN 60820-94-2
C_ID C00003542 ,
InChIKey SFZVDNKTWPZIJG-MONXWGKENA-N
InChICode InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22-,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1
SMILES [C@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)OC)C)C(=O)O)C)C)C)(C)CO)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca americana Ref.
PlantaePhytolaccaceaePhytolacca tetramera Hauman Ref.
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