input word = C00008927

Metabolite InformationStructural formula
Name Mesquitol-(5->6)-catechin-(8->5)-mesquitol
Formula C45H38O18
Mw 866.20581441
CAS RN 109671-65-0
C_ID C00008927 ,
InChIKey MALMHZVHEDOARE-SYQWBDLXNA-N
InChICode InChI=1S/C45H38O18/c46-23-4-1-15(7-26(23)49)40-33(56)14-22-36(57)34(18-10-29(52)37(58)44-20(18)12-31(54)41(62-44)16-2-5-24(47)27(50)8-16)39(60)35(43(22)61-40)19-11-30(53)38(59)45-21(19)13-32(55)42(63-45)17-3-6-25(48)28(51)9-17/h1-11,31-33,40-42,46-60H,12-14H2/t31-,32-,33-,40-,41+,42+/m0/s1
SMILES c1(c2c(c(c(c1c1c3c(c(c(c1)O)O)O[C@@H]([C@H](C3)O)c1ccc(c(c1)O)O)O)c1c3c(c(c(c1)O)O)O[C@@H]([C@H](C3)O)c1cc(c(cc1)O)O)O[C@H]([C@H](C2)O)c1cc(c(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeProsopis glandulosa Ref.
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