input word = C00039223

Metabolite InformationStructural formula
Name Frajunolide G
(+)-Frajunolide G
Formula C31H41ClO12
Mw 640.22865449
CAS RN 1058643-45-0
C_ID C00039223 ,
InChIKey SUKCFMZLAMJTJM-JUPOJIAHNA-N
InChICode InChI=1S/C31H41ClO12/c1-8-14(2)27(36)38-12-22(35)42-21-11-19-15(3)23(32)25-31(44-19,16(4)28(37)43-25)26(41-18(6)34)24-29(21,7)20(40-17(5)33)9-10-30(24)13-39-30/h14,16,19-21,23-26H,3,8-13H2,1-2,4-7H3/t14-,16-,19-,20-,21-,23-,24+,25-,26-,29+,30-,31-/m0/s1
SMILES C=C1[C@@H]2C[C@H](OC(=O)COC(=O)C(C)CC)[C@@]3(C)[C@@H](OC(C)=O)CC[C@]4(CO4)[C@@H]3[C@H](OC(C)=O)C3(O2)[C@@H](C)C(=O)O[C@H]3[C@H]1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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