input word = C00045366

Metabolite InformationStructural formula
Name Phebaclavin E
(-)-Phebaclavin E
Formula C16H16O7
Mw 320.08960287
CAS RN 416845-73-3
C_ID C00045366 ,
InChIKey ZIDPPUOSVSTKAO-SOFGYWHQNA-N
InChICode InChI=1S/C16H16O7/c1-8(15(19)22-3)6-12(18)10-7-9-4-5-11(17)14(21-2)13(9)23-16(10)20/h4-7,12,17-18H,1-3H3/b8-6+/t12-/m0/s1
SMILES c1(ccc2c(c1OC)oc(=O)c(c2)[C@H](/C=C(/C(=O)OC)\C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhebalium clavatum Ref.
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OrganismPhebalium clavatum
ReferenceColombain,J.Nat.Prod.,65,(2002),458