input word = C00036696

Metabolite InformationStructural formula
Name Agrostophyllinol
Formula C31H52O
Mw 440.40181628
CAS RN 52222-75-0
C_ID C00036696 ,
InChIKey BEEARZYDKRRUMX-ZMAGUIJDNA-N
InChICode InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,20,22-23,25-27,32H,3,10-14,16-19H2,1-2,4-9H3/t22-,23-,25-,26+,27+,29-,30-,31+/m1/s1
SMILES C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeAgrostophyllum brevipes Ref.
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