input word = C00031945

Metabolite InformationStructural formula
Name Juncin H
(+)-Juncin H
Formula C31H43ClO12
Mw 642.24430455
CAS RN 189513-66-4
C_ID C00031945 ,
InChIKey LRFGSFLHFBEWPF-MBMDYQPYNA-N
InChICode InChI=1S/C31H43ClO12/c1-9-14(2)27(36)43-21-12-22(41-18(6)34)30(13-39-30)24-26(42-19(7)35)31(38)16(4)28(37)44-25(31)23(32)15(3)10-11-20(29(21,24)8)40-17(5)33/h14,16,20-26,38H,3,9-13H2,1-2,4-8H3/t14-,16+,20+,21+,22-,23+,24-,25+,26+,29+,30-,31-/m1/s1
SMILES C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)C(C)CC)C[C@@H](OC(C)=O)[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)[C@@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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