input word = C00043996

Metabolite InformationStructural formula
Name Uvaol 3-caffeate
(+)-Uvaol 3-caffeate
Formula C39H56O5
Mw 604.4127749
CAS RN 667465-76-1
C_ID C00043996 ,
InChIKey VAVKRHSGFFQRKW-JHJDDYLHNA-N
InChICode InChI=1S/C39H56O5/c1-24-14-19-39(23-40)21-20-37(6)27(34(39)25(24)2)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-26-8-11-28(41)29(42)22-26/h8-11,13,22,24-25,30-32,34,40-42H,12,14-21,23H2,1-7H3/b13-9+/t24-,25+,30+,31-,32+,34+,36+,37-,38-,39-/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus ilicifolia Ref.
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OrganismMaytenus ilicifolia
ReferenceOhsaki,J.Nat.Prod.,67,(2004),469