input word = C00059372

Metabolite InformationStructural formula
Name Raraoside A
Formula C42H68O11
Mw 748.47616301
CAS RN 1190750-07-2
C_ID C00059372
InChIKey NOEOFKWGLCIPFR-KPQUQHCYSA-N
InChICode InChI=1S/C42H68O11/c1-22-29(44)31(46)33(48)35(51-22)50-20-25-30(45)32(47)34(49)36(52-25)53-28-12-13-39(6)26(38(28,4)5)11-14-41(8)27(39)10-9-23-24-19-37(2,3)15-17-42(24,21-43)18-16-40(23,41)7/h9,21-22,24-36,44-49H,10-20H2,1-8H3/t22-,24-,25+,26-,27+,28-,29-,30+,31+,32-,33+,34+,35+,36-,39-,40+,41+,42+/m0/s1
SMILES CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C=O)CCC45C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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