input word = C00052792

Metabolite InformationStructural formula
Name Abieta-8(14),13(15)-diene
Neoabietadiene
Formula C20H32
Mw 272.25040102
CAS RN 57119-12-7
C_ID C00052792
InChIKey MRRHSEMHYVQUFK-CMKODMSKSA-N
InChICode InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1
SMILES CC1(C)[C@]2([H])CCC3=C/C(CC[C@]3([H])[C@@]2(C)CCC1)=C(C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus mugo subsp. Mugo Ref.
PlantaePinaceaePinus taeda Ref.
--Sitka spruce Ref.
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