input word = C00039311

Metabolite InformationStructural formula
Name Gymnasterone A
Formula C45H67NO5
Mw 701.50192426
CAS RN 209169-57-3
C_ID C00039311 ,
InChIKey TVFMBZOZGJABCW-UBBHMBCRNA-N
InChICode InChI=1S/C45H67NO5/c1-10-11-12-13-14-29(4)23-30(5)15-18-38(49)46-44(27-47)26-33-24-36(32(7)17-16-31(6)28(2)3)43(9)22-20-35-39(45(33,43)51)40(44)41(50)37-25-34(48)19-21-42(35,37)8/h15-18,23,25,27-29,31-36,48,51H,10-14,19-22,24,26H2,1-9H3,(H,46,49)/b17-16+,18-15+,30-23+/t29-,31+,32+,33-,34+,35+,36-,42-,43-,44+,45+/m1/s1
SMILES CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@]1(C=O)C[C@H]2C[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]4C(=C1C(=O)C1=C[C@@H](O)CC[C@@]14C)[C@@]23O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
FungiGymnoascaceaeGymnascella dankaliensis Ref.
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