input word = C00022771

Metabolite InformationStructural formula
Name Pinusolide
Formula C21H30O4
Mw 346.21440945
CAS RN 31685-80-0
C_ID C00022771 ,
InChIKey WTKBZJAWPZXKJU-QNVSNUKYNA-N
InChICode InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1
SMILES C1C[C@]([C@H]2[C@](C1)([C@H](C(=C)CC2)CCC1=CCOC1=O)C)(C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaePlatycladus orientalis Ref.
PlantaeCupressaceaeThuja orientalis Ref.
PlantaePinaceaePinus armandii var.mastersiana Ref.
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
PlantaePinaceaePinus sibiruca Ref.
--Biodata orientalis Ref.
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OrganismPinus sibirica
ReferenceRaldugin,Chem. Nat. Comp.,6,(1973),559