input word = C00022598

Metabolite InformationStructural formula
Name 3beta-Malonyloxy-15-acetoxy-ent-labda-7,13E-dien methylester
Formula C25H38O6
Mw 434.26683895
CAS RN 113476-70-3
C_ID C00022598 ,
InChIKey PYIYBLNMVYLVPA-KPMODDSDNA-N
InChICode InChI=1S/C25H38O6/c1-16(12-14-30-18(3)26)7-9-19-17(2)8-10-20-24(4,5)21(11-13-25(19,20)6)31-23(29)15-22(27)28/h8,12,19-21H,7,9-11,13-15H2,1-6H3,(H,27,28)/b16-12+/t19-,20-,21+,25-/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC/C(=C/COC(=O)C)/C)C)(C)C)OC(=O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCorymbium villosum Ref.
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