input word = C00003468

Metabolite InformationStructural formula
Name Pimaric acid
(+)-Pimaric acid
Formula C20H30O2
Mw 302.2245802
CAS RN 127-27-5
C_ID C00003468 ,
InChIKey MHVJRKBZMUDEEV-HGURHXMQNA-N
InChICode InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@@H]1C(=C[C@@](CC1)(C=C)C)CC2)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sibirica Ref.
PlantaePinaceaePinus spp. Ref.
PlantaePinaceaePinus taeda Ref.
--Sitka spruce Ref.
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