input word = C00036697

Metabolite InformationStructural formula
Name Agrostophyllinone
Formula C31H50O
Mw 438.38616622
CAS RN 56795-59-6
C_ID C00036697 ,
InChIKey CMUZBFSAENLNRV-HHIBTCBTNA-N
InChICode InChI=1S/C31H50O/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/h15,20,22-23,25-26H,3,10-14,16-19H2,1-2,4-9H3/t22-,23-,25-,26+,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(=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.
PlantaeOrchidaceaeAgrostophyllum callosum Ref.
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