input word = C00055530

Metabolite InformationStructural formula
Name Cymbopogonol
Formula C30H50O
Mw 426.38616622
CAS RN 60816-94-6
C_ID C00055530
InChIKey QEDMSLJZGCZBIF-KLMJWLGWSA-N
InChICode InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19,21-25,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30-/m1/s1
SMILES CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@@]4([H])CC[C@]5(C)C([C@@H](O)CC[C@@]5([H])[C@]4(C)CC[C@]3(C)[C@@]21[H])=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCymbopogon citratus Ref.
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