input word = C00054248

Metabolite InformationStructural formula
Name Crusgallin
Formula C31H52O
Mw 440.40181628
CAS RN 14021-23-9
C_ID C00054248
InChIKey MJIBQQFDNJYZGY-XRDLEVPZSA-N
InChICode InChI=1S/C31H52O/c1-26(2)18-19-28(5)14-10-22-30(7)15-11-21-27(3,4)25(32-9)13-17-29(21,6)23(30)12-16-31(22,8)24(28)20-26/h10,21,23-25H,11-20H2,1-9H3/t21-,23+,24+,25-,28-,29-,30-,31+/m0/s1
SMILES CC1(C)CC[C@@](CC=C2[C@@]3(C)CC[C@@]4([H])[C@@]2(C)CC[C@]5([H])[C@]4(C)CC[C@H](OC)C5(C)C)(C)[C@@]3([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSaccharum officinarum Ref.
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