input word = C00061675

Metabolite InformationStructural formula
Name Akebia saponin B
Formula C40H64O12
Mw 736.43977751
CAS RN 38631-44-6
C_ID C00061675
InChIKey JPMUGBUFRGFFCT-BVLSOOJFSA-N
InChICode InChI=1S/C40H64O12/c1-35(2)13-15-40(34(47)48)16-14-38(5)21(22(40)17-35)7-8-26-36(3)11-10-27(37(4,20-41)25(36)9-12-39(26,38)6)51-33-31(29(45)24(43)19-50-33)52-32-30(46)28(44)23(42)18-49-32/h7,22-33,41-46H,8-20H2,1-6H3,(H,47,48)/t22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33-,36-,37-,38+,39+,40-/m0/s1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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