input word = C00029946

Metabolite InformationStructural formula
Name Chikusetsusaponin IVa
Silphioside G
Chikusetsusaponin IVa
Momordin IIb
Oleanolic acid 3-O-[beta-D-glucuronopyranosyl]-28-O-bet.-D-glucopyranoside
Formula C42H66O14
Mw 794.44525682
CAS RN 51415-02-2
C_ID C00029946 ,
InChIKey YOSRLTNUOCHBEA-QRXZMAERNA-N
InChICode InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
PlantaeAraliaceaeAcanthopanax senticosus Ref.
PlantaeAraliaceaePanax japonicum Ref.
PlantaeBasellaceaeBasella rubra L. Ref.
PlantaeChenopodiaceaeChenopodium quinoa Wild. Ref.
PlantaeRubiaceaeGalium rivale Ref.
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