input word = C00054185

Metabolite InformationStructural formula
Name Cyclolaudenyl palmitate
Formula C47H82O2
Mw 678.63148186
CAS RN 104109-19-5
C_ID C00054185
InChIKey JRXHHEVIGCDJBO-RIPPWFKASA-N
InChICode InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)49-41-29-31-46-34-47(46)33-32-44(8)38(37(5)25-24-36(4)35(2)3)28-30-45(44,9)40(47)27-26-39(46)43(41,6)7/h36-41H,2,10-34H2,1,3-9H3/t36-,37+,38+,39-,40-,41-,44+,45-,46+,47-/m0/s1
SMILES C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeZea mays Ref.
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OrganismZea mays
ReferenceBentley, H.R. et al., JCS, 1955, 596-602 (Cyclolaudenol)