input word = C00043624

Metabolite InformationStructural formula
Name Jolkinin
Formula C47H36O34
Mw 1144.10879831
CAS RN 732276-30-1
C_ID C00043624 ,
InChIKey JPLYTKKFFYXKAS-UHFFFAOYNA-N
InChICode InChI=1S/C47H36O34/c48-6-18(54)42(68)38-41-32-21-11(5-16(53)25(58)29(21)79-44(32,69)47(72)45(38,70)81-46(42,71)43(41,80-47)39(65)66)36(64)76-31-30-28(77-40(41)67)17(74-37(31)78-33(61)8-1-12(49)22(55)13(50)2-8)7-73-34(62)9-3-14(51)23(56)26(59)19(9)20-10(35(63)75-30)4-15(52)24(57)27(20)60/h1-5,17-18,28,30-32,37-38,48-60,68-72H,6-7H2,(H,65,66)/t17-,18+,28-,30+,31-,32+,37-,38-,41+,42+,43+,44+,45+,46-,47-/m1/s1
SMILES [C@H]12O[C@@H]([C@H]3[C@H]([C@@H]1OC(=O)[C@]14[C@@H]5c6c(C(=O)O3)cc(c(c6O[C@]5(O)[C@@]3([C@@]5([C@H]1[C@]([C@]([C@@]4(C(=O)O)O3)(O5)O)([C@H](CO)O)O)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia jolkinii Ref.
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