input word = C00003458

Metabolite InformationStructural formula
Name neo-Cembrene
Neocembrene
Formula C20H32
Mw 272.25040102
CAS RN 31570-39-5
C_ID C00003458 ,
InChIKey VWSPQDDPRITBAM-PTGIESGWNA-N
InChICode InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1
SMILES C=C(C)[C@H]1C/C=C(C)CC/C=C(C)CC/C=C(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea koraiensis Ref.
PlantaePinaceaePicea obovata Ref.
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.