input word = C00024077

Metabolite InformationStructural formula
Name 7,8-Didehydrocimigenol
Formula C30H46O5
Mw 486.33452458
CAS RN 150972-72-8
C_ID C00024077 ,
InChIKey VFWGQUZLHBLDFF-JCACXYPENA-N
InChICode InChI=1S/C30H46O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h9,16-18,20-23,31-33H,8,10-15H2,1-7H3/t16-,17?,18+,20+,21-,22+,23-,26-,27-,28-,29+,30-/m1/s1
SMILES C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga heracleifolia KOMAROV Ref.
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