input word = C00037508

Metabolite InformationStructural formula
Name Monacanthin A
Formula C41H32O25
Mw 924.12326658
CAS RN 382137-54-4
C_ID C00037508 ,
InChIKey CLGZXCUPOJFNPP-YDGHDLQYNA-N
InChICode InChI=1S/C41H32O25/c42-18-2-1-13(3-19(18)43)37(57)66-41-35(65-40(60)17-10-26(50)32(55)27(51)11-17)34(64-39(59)16-8-24(48)31(54)25(49)9-16)33(63-38(58)15-6-22(46)30(53)23(47)7-15)28(62-41)12-61-36(56)14-4-20(44)29(52)21(45)5-14/h1-11,28,33-35,41-55H,12H2/t28-,33-,34+,35-,41+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC(=O)c1ccc(c(c1)O)O)COC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeCornulaca monacantha Ref.
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