input word = C00063173

Metabolite InformationStructural formula
Name Sapinmusaponin B
Formula C42H72O14
Mw 800.49220701
CAS RN 857859-20-2
C_ID C00063173
InChIKey JKFIAZCONDAKDC-NVIUJQRFSA-N
InChICode InChI=1S/C42H72O14/c1-19(2)16-23(44)35(51)42(9,52)22-12-15-40(7)21(22)10-11-25-39(6)14-13-28(38(4,5)26(39)17-27(45)41(25,40)8)55-37-34(32(49)30(47)24(18-43)54-37)56-36-33(50)31(48)29(46)20(3)53-36/h16,20-37,43-52H,10-15,17-18H2,1-9H3/t20-,21+,22-,23?,24+,25+,26-,27-,28-,29-,30+,31+,32-,33+,34+,35?,36-,37-,39+,40+,41-,42-/m0/s1
SMILES CC(C)=CC(O)C(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CC(O)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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