input word = C00061822

Metabolite InformationStructural formula
Name Mukurozioside A
Formula C55H92O30
Mw 1232.5673416
CAS RN 452963-18-7
C_ID C00061822
InChIKey FEDCLDXCMSJRKZ-UHRFLVMCSA-N
InChICode InChI=1S/C55H92O30/c1-21(13-11-15-23(3)18-75-55-49(85-53-45(71)41(67)35(61)27(7)79-53)47(37(63)31(81-55)20-74-29(9)57)83-51-43(69)39(65)33(59)25(5)77-51)12-10-14-22(2)16-17-72-54-48(84-52-44(70)40(66)34(60)26(6)78-52)46(36(62)30(80-54)19-73-28(8)56)82-50-42(68)38(64)32(58)24(4)76-50/h12,16,23-27,30-55,58-71H,10-11,13-15,17-20H2,1-9H3/b21-12+,22-16+/t23-,24-,25-,26-,27-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48+,49+,50-,51-,52-,53-,54+,55+/m0/s1
SMILES CC(=O)OCC1OC(OCC=C(C)CCC=C(C)CCCC(C)COC2OC(COC(C)=O)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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OrganismSapindus mukorossi
Referencehttps://doi.org/10.7538/zpxb.2017.0055