input word = C00042115

Metabolite InformationStructural formula
Name 3alpha-Hydroxy-1(15),8(19)-trinervitadien-2-one
Formula C20H30O2
Mw 302.2245802
CAS RN 68799-84-8
C_ID C00042115 ,
InChIKey VXHXPUWLVSAWNZ-CXBTVNSQNA-N
InChICode InChI=1S/C20H30O2/c1-12-6-5-7-13(2)15-10-11-20(4)17(15)14(3)16(9-8-12)18(21)19(20)22/h12,15,17,19,22H,2,5-11H2,1,3-4H3/t12-,15-,17+,19-,20-/m0/s1
SMILES C12=C([C@H]3[C@@]([C@H](C1=O)O)(CC[C@H]3C(=C)CCC[C@@H](CC2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaTermitidaeNasutitermes surinamensis Ref.
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OrganismNasutitermes surinamensis
ReferenceLaurent,J.Nat.Prod.,68,(2005),532