input word = C00053539

Metabolite InformationStructural formula
Name Neoabietal
Neoabietinal
Formula C20H30O
Mw 286.22966558
CAS RN 19898-57-8
C_ID C00053539
InChIKey JPCTZWFFRZZTMM-LWYYNNOASA-N
InChICode InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
SMILES CC(C)=C1C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.