input word = C00022798

Metabolite InformationStructural formula
Name 2beta,15-Dihydroxy-ent-7-labdene-2-O-methylmalonate
Formula C24H40O5
Mw 408.28757439
CAS RN
C_ID C00022798 ,
InChIKey XHWGHIJXIYCDEW-RUPQPPALNA-N
InChICode InChI=1S/C24H40O5/c1-16(11-12-25)7-9-19-17(2)8-10-20-23(3,4)14-18(15-24(19,20)5)29-22(27)13-21(26)28-6/h8,16,18-20,25H,7,9-15H2,1-6H3/t16-,18+,19+,20+,24+/m0/s1
SMILES COC(=O)CC(=O)O[C@@H]1CC(C)(C)[C@H]2CC=C(C)[C@@H](CCC(C)CCO)[C@]2(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis latifolia Ref.
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