input word = C00037276

Metabolite InformationStructural formula
Name Hop-17(21)-en-3-one
Formula C30H48O
Mw 424.37051615
CAS RN 471-61-4
C_ID C00037276 ,
InChIKey QIPITLICOVJMDG-GBJVIEPRNA-N
InChICode InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h19,22-24H,9-18H2,1-8H3/t22-,23+,24+,27-,28-,29+,30+/m0/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@]1(C(=C(CC1)C(C)C)CC2)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana scabra Ref.
zoom in