input word =
C00055199
Metabolite Information
Structural formula
Name
Caraganin B
Cloversaponin II
Formula
C36H54O11
Mw
662.36661257
CAS RN
143519-23-7
C_ID
C00055199
InChIKey
FSMNQWHKVQFXMJ-NRYKUPCLSA-N
InChICode
InChI=1S/C36H54O11/c1-31(30(44)45)15-19-18-7-8-21-33(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)34(4,17-37)20(33)9-12-36(21,6)35(18,5)14-13-32(19,2)22(38)16-31/h7,19-21,23-27,29,37,39-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,23-,24-,25-,26+,27-,29+,31-,32+,33-,34+,35+,36+/m0/s1
SMILES
C[C@@]1(C(=O)O)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[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
Plantae
Fabaceae
Trifolium argutum
Ref.
Plantae
Fabaceae
Trifolium repens
Ref.
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