input word = C00053058

Metabolite InformationStructural formula
Name Dammarenyl cation
Formula C30H51O
Mw 427.39399125
CAS RN 315697-09-7
C_ID C00053058
InChIKey CMWWKTAIINPICF-WJQSYXMBSA-N
InChICode InChI=1S/C30H51O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,9,11-19H2,1-8H3/q+1/t22-,23-,24+,25-,26+,28+,29-,30-/m1/s1
SMILES C[C+](CC/C=C(C)/C)[C@H]1CC[C@@]2(C)[C@]3(C)CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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