input word = C00022522

Metabolite InformationStructural formula
Name Dehydropinifolic acid
8(17),13-labdadien-15,18-dioic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 33123-07-8
C_ID C00022522 ,
InChIKey QYCOHMYDSOZCQD-NWFIGALRNA-N
InChICode InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m0/s1
SMILES C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sylvestris Ref.
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