input word = C00031937

Metabolite InformationStructural formula
Name Juncenolide B
(-)-Juncenolide B
Formula C30H42O12
Mw 594.26762681
CAS RN 496953-48-1
C_ID C00031937 ,
InChIKey UWOFEPDXNJFNMB-YEJOUFSSNA-N
InChICode InChI=1S/C30H42O12/c1-8-15(2)26(34)41-20-13-28(7)21(38-17(4)31)11-9-10-12-22-30(36,16(3)27(35)42-22)25(40-19(6)33)23(28)29(14-37-29)24(20)39-18(5)32/h9-10,15-16,20-25,36H,8,11-14H2,1-7H3/b10-9-/t15-,16+,20-,21+,22+,23+,24+,25+,28-,29+,30-/m1/s1
SMILES [C@@H]1([C@@H]([C@@]2([C@@H]3[C@](C1)([C@H](C/C=C\C[C@H]1[C@]([C@H]3OC(=O)C)(O)[C@H](C(=O)O1)C)OC(=O)C)C)CO2)OC(=O)C)OC(=O)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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