input word = C00030569

Metabolite InformationStructural formula
Name Junceol G
Formula C31H44O11
Mw 592.28836225
CAS RN 1092697-29-4
C_ID C00030569 ,
InChIKey WRNKLTAGBFYITD-UFQXVPBQNA-N
InChICode InChI=1S/C31H44O11/c1-10-16(3)28(35)41-23-12-11-15(2)13-24-31(37,18(5)29(36)42-24)27(40-21(8)34)25-17(4)14-22(38-19(6)32)26(30(23,25)9)39-20(7)33/h13,16,18,22-27,37H,4,10-12,14H2,1-3,5-9H3/b15-13-/t16-,18-,22-,23?,24-,25+,26-,27-,30+,31+/m0/s1
SMILES C=C1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(=O)C(C)CC)CC/C(C)=C[C@@H]3OC(=O)[C@H](C)C3(O)[C@@H](OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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