input word = C00041050

Metabolite InformationStructural formula
Name Mallotusinin
Formula C41H26O25
Mw 918.07631639
CAS RN 1214854-04-2
C_ID C00041050 ,
InChIKey SHIKPQXKXYEXCO-UHFFFAOYNA-N
InChICode InChI=1S/C41H26O25/c42-13-1-8(2-14(43)24(13)48)36(55)66-41-35-34-31(63-39(58)11-5-17(46)27(51)32-22(11)23-12(40(59)65-35)6-18(47)28(52)33(23)62-32)19(61-41)7-60-37(56)9-3-15(44)25(49)29(53)20(9)21-10(38(57)64-34)4-16(45)26(50)30(21)54/h1-6,19,31,34-35,41-54H,7H2/t19-,31-,34+,35-,41+/m1/s1
SMILES [C@@H]1([C@H]2[C@H]3OC(=O)c4c(c5c(C(=O)OC[C@H]([C@H]3OC(=O)c3c6c7c(C(=O)O2)cc(c(c7oc6c(c(c3)O)O)O)O)O1)cc(c(c5O)O)O)c(c(c(c4)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
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