input word = C00042882

Metabolite InformationStructural formula
Name Pulicanadiene B
(+)-Pulicanadiene B
Formula C19H28O5
Mw 336.193674
CAS RN 851595-65-8
C_ID C00042882 ,
InChIKey IVPDEPJTXZGQDQ-NPKXUUDYNA-N
InChICode InChI=1S/C19H28O5/c1-12(2)19-17(23-14(4)21)9-13(3)7-6-8-16(11-20)10-18(19)24-15(5)22/h8-9,11-12,17-19H,6-7,10H2,1-5H3/b13-9+,16-8+/t17-,18-,19-/m1/s1
SMILES C\1=C(\C[C@H]([C@@H]([C@@H](/C=C(/CC1)\C)OC(=O)C)C(C)C)OC(=O)C)/C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePulicaria canariensis Ref.
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OrganismPulicaria canariensis
ReferenceTriana,J.Nat.Prod.,68,(2005),523